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Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.
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Quantity 
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Physical Form 
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Molecular Weight (g/mol)

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Quantity

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Percent Purity

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Physical Form

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Grade

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1
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Di-n-propyl sulfide, 98+%

CAS: 111-47-7 Molecular Formula: C6H14S Molecular Weight (g/mol): 118.24 MDL Number: MFCD00009379 InChI Key: ZERULLAPCVRMCO-UHFFFAOYSA-N Synonym: propyl sulfide,dipropyl sulfide,di-n-propyl sulfide,propane, 1,1'-thiobis,dipropyl thioether,propyl monosulfide,dipropyl sulphide,n-propyl sulfide,4-thiaheptane,1,1'-thiobispropane PubChem CID: 8118 IUPAC Name: 1-propylsulfanylpropane SMILES: CCCSCCC

PubChem CID 8118
CAS 111-47-7
Molecular Weight (g/mol) 118.24
MDL Number MFCD00009379
SMILES CCCSCCC
Synonym propyl sulfide,dipropyl sulfide,di-n-propyl sulfide,propane, 1,1'-thiobis,dipropyl thioether,propyl monosulfide,dipropyl sulphide,n-propyl sulfide,4-thiaheptane,1,1'-thiobispropane
IUPAC Name 1-propylsulfanylpropane
InChI Key ZERULLAPCVRMCO-UHFFFAOYSA-N
Molecular Formula C6H14S
2
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3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, 97%, Thermo Scientific Chemicals

CAS: 72760-85-1 Molecular Formula: C5H6N4S Molecular Weight (g/mol): 154.191 MDL Number: MFCD00052745 InChI Key: IUVUVQGOSHLPJV-UHFFFAOYSA-N Synonym: 3-amino-5-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylthio pyrazole-4-carbonitrile,3-amino-4-cyano-5-methylthiopyrazole,5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile,5-amino-3-methylthiopyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3-amino-5-methylthio,5-amino-3-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile PubChem CID: 736200 IUPAC Name: 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile SMILES: CSC1=NNC(=C1C#N)N

PubChem CID 736200
CAS 72760-85-1
Molecular Weight (g/mol) 154.191
MDL Number MFCD00052745
SMILES CSC1=NNC(=C1C#N)N
Synonym 3-amino-5-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylthio pyrazole-4-carbonitrile,3-amino-4-cyano-5-methylthiopyrazole,5-amino-3-methylsulfanyl-1h-pyrazole-4-carbonitrile,5-amino-3-methylthiopyrazole-4-carbonitrile,1h-pyrazole-4-carbonitrile,3-amino-5-methylthio,5-amino-3-methylthio-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-1h-pyrazole-4-carbonitrile,3-amino-5-methylsulfanyl-2h-pyrazole-4-carbonitrile
IUPAC Name 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
InChI Key IUVUVQGOSHLPJV-UHFFFAOYSA-N
Molecular Formula C5H6N4S
3
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Ethyl methyl sulfide, 97%

CAS: 624-89-5 Molecular Formula: C3H8S Molecular Weight (g/mol): 76.16 MDL Number: MFCD00009268 InChI Key: WXEHBUMAEPOYKP-UHFFFAOYSA-N Synonym: ethyl methyl sulfide,methylthioethane,ethane, methylthio,methyl ethyl sulfide,ethyl methyl sulphide,methyl ethyl sulphide,sulfide, ethyl methyl,unii-mr1gzs62tm,methylthio ethane,methylsulfanyl ethane PubChem CID: 12230 IUPAC Name: methylsulfanylethane SMILES: CCSC

PubChem CID 12230
CAS 624-89-5
Molecular Weight (g/mol) 76.16
MDL Number MFCD00009268
SMILES CCSC
Synonym ethyl methyl sulfide,methylthioethane,ethane, methylthio,methyl ethyl sulfide,ethyl methyl sulphide,methyl ethyl sulphide,sulfide, ethyl methyl,unii-mr1gzs62tm,methylthio ethane,methylsulfanyl ethane
IUPAC Name methylsulfanylethane
InChI Key WXEHBUMAEPOYKP-UHFFFAOYSA-N
Molecular Formula C3H8S
4
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4-(4-Thiomorpholinyl)aniline, 97%

CAS: 22589-35-1 Molecular Formula: C10H14N2S Molecular Weight (g/mol): 194.296 MDL Number: MFCD01625958 InChI Key: RQXQMUUSQGCLPL-UHFFFAOYSA-N Synonym: 4-thiomorpholinoaniline,4-thiomorpholin-4-yl aniline,4-thiomorpholin-4-yl phenylamine,4-thiomorpholinobenzenamine,4-thiomorpholin-4-yl-phenylamine,benzenamine,4-4-thiomorpholinyl,benzenamine, 4-4-thiomorpholinyl,4-p-aminophenyl-tetrahydro-4h-1,4-thiazine PubChem CID: 10774206 IUPAC Name: 4-thiomorpholin-4-ylaniline SMILES: C1CSCCN1C2=CC=C(C=C2)N

PubChem CID 10774206
CAS 22589-35-1
Molecular Weight (g/mol) 194.296
MDL Number MFCD01625958
SMILES C1CSCCN1C2=CC=C(C=C2)N
Synonym 4-thiomorpholinoaniline,4-thiomorpholin-4-yl aniline,4-thiomorpholin-4-yl phenylamine,4-thiomorpholinobenzenamine,4-thiomorpholin-4-yl-phenylamine,benzenamine,4-4-thiomorpholinyl,benzenamine, 4-4-thiomorpholinyl,4-p-aminophenyl-tetrahydro-4h-1,4-thiazine
IUPAC Name 4-thiomorpholin-4-ylaniline
InChI Key RQXQMUUSQGCLPL-UHFFFAOYSA-N
Molecular Formula C10H14N2S
5
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Thiomorpholine, 98%

CAS: 123-90-0 Molecular Formula: C4H9NS Molecular Weight (g/mol): 103.183 MDL Number: MFCD00005974 InChI Key: BRNULMACUQOKMR-UHFFFAOYSA-N Synonym: thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine PubChem CID: 67164 ChEBI: CHEBI:36392 IUPAC Name: thiomorpholine SMILES: C1CSCCN1

PubChem CID 67164
CAS 123-90-0
Molecular Weight (g/mol) 103.183
ChEBI CHEBI:36392
MDL Number MFCD00005974
SMILES C1CSCCN1
Synonym thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine
IUPAC Name thiomorpholine
InChI Key BRNULMACUQOKMR-UHFFFAOYSA-N
Molecular Formula C4H9NS
6
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3,3'-Thiodipropionic acid, 98%

CAS: 111-17-1 Molecular Formula: C6H10O4S Molecular Weight (g/mol): 178.202 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

PubChem CID 8096
CAS 111-17-1
Molecular Weight (g/mol) 178.202
MDL Number MFCD00002781
SMILES C(CSCCC(=O)O)C(=O)O
Synonym 3,3'-thiodipropionic acid,thiodipropionic acid,propanoic acid, 3,3'-thiobis,bis 2-carboxyethyl sulfide,tyox a,thiodihydracrylic acid,4-thiaheptanedioic acid,tdpa,sulfide, bis 2-carboxyethyl,3,3'-thiodipropanoic acid
IUPAC Name 3-(2-carboxyethylsulfanyl)propanoic acid
InChI Key ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Formula C6H10O4S
7
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4-(Methylthio)butanol, 99%

CAS: 20582-85-8 Molecular Formula: C5H12OS Molecular Weight (g/mol): 120.21 MDL Number: MFCD00002973 InChI Key: JNTVUHZXIJFHAU-UHFFFAOYSA-N Synonym: 4-methylthio-1-butanol,4-methylthio butanol,4-methylthiobutan-1-ol,unii-yl87ury6pc,4-methylsulfanyl-1-butanol,1-butanol, 4-methylthio,yl87ury6pc,4-methylthio butan-1-ol,4-methylsulfanyl butan-1-ol,4-methylthio-1-butanol, polymer-bound PubChem CID: 519793 SMILES: CSCCCCO

PubChem CID 519793
CAS 20582-85-8
Molecular Weight (g/mol) 120.21
MDL Number MFCD00002973
SMILES CSCCCCO
Synonym 4-methylthio-1-butanol,4-methylthio butanol,4-methylthiobutan-1-ol,unii-yl87ury6pc,4-methylsulfanyl-1-butanol,1-butanol, 4-methylthio,yl87ury6pc,4-methylthio butan-1-ol,4-methylsulfanyl butan-1-ol,4-methylthio-1-butanol, polymer-bound
InChI Key JNTVUHZXIJFHAU-UHFFFAOYSA-N
Molecular Formula C5H12OS
8
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3,6-Dithia-1,8-octanediol, 97%

CAS: 5244-34-8 Molecular Formula: C6H14O2S2 Molecular Weight (g/mol): 182.296 MDL Number: MFCD00002911 InChI Key: PDHFSBXFZGYBIP-UHFFFAOYSA-N Synonym: 3,6-dithia-1,8-octanediol,1,2-bis 2-hydroxyethylthio ethane,3,6-dithiaoctane-1,8-diol,dithiaoctanediol,ethylenedithioethanol,ethanol, 2,2'-1,2-ethanediylbis thio bis,unii-kbc80263g6,2,2'-ethane-1,2-diylbis sulfanediyl diethanol,2,2'-ethylenedithio diethanol,ethanol, 2,2'-ethylenedithio di PubChem CID: 78904 IUPAC Name: 2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol SMILES: C(CSCCSCCO)O

PubChem CID 78904
CAS 5244-34-8
Molecular Weight (g/mol) 182.296
MDL Number MFCD00002911
SMILES C(CSCCSCCO)O
Synonym 3,6-dithia-1,8-octanediol,1,2-bis 2-hydroxyethylthio ethane,3,6-dithiaoctane-1,8-diol,dithiaoctanediol,ethylenedithioethanol,ethanol, 2,2'-1,2-ethanediylbis thio bis,unii-kbc80263g6,2,2'-ethane-1,2-diylbis sulfanediyl diethanol,2,2'-ethylenedithio diethanol,ethanol, 2,2'-ethylenedithio di
IUPAC Name 2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
InChI Key PDHFSBXFZGYBIP-UHFFFAOYSA-N
Molecular Formula C6H14O2S2
9
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(2-Benzimidazolylthio)acetic acid, 98%

CAS: 3042-00-0 Molecular Formula: C9H7N2O2S Molecular Weight (g/mol): 207.23 MDL Number: MFCD00022673 InChI Key: UYNVBLJQBCTRKV-UHFFFAOYSA-M Synonym: 2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid PubChem CID: 137805 IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid SMILES: [O-]C(=O)CSC1=NC2=CC=CC=C2N1

PubChem CID 137805
CAS 3042-00-0
Molecular Weight (g/mol) 207.23
MDL Number MFCD00022673
SMILES [O-]C(=O)CSC1=NC2=CC=CC=C2N1
Synonym 2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid
IUPAC Name 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid
InChI Key UYNVBLJQBCTRKV-UHFFFAOYSA-M
Molecular Formula C9H7N2O2S
10
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Chloromethyl methyl sulfide, 94%

CAS: 2373-51-5 Molecular Formula: C2H5ClS Molecular Weight (g/mol): 96.57 MDL Number: MFCD00000923 InChI Key: JWMLCCRPDOIBAV-UHFFFAOYSA-N Synonym: chloromethyl methyl sulfide,chlorodimethyl sulfide,methylthiomethyl chloride,chloro methylthio methane,methane, chloro methylthio,chlorodimethyl thioether,chloromethyl methyl thioether,monochlorodimethyl sulfide,chloro methylsulfanyl methane,clorodimetilsolfuro PubChem CID: 16916 IUPAC Name: chloro(methylsulfanyl)methane SMILES: CSCCl

PubChem CID 16916
CAS 2373-51-5
Molecular Weight (g/mol) 96.57
MDL Number MFCD00000923
SMILES CSCCl
Synonym chloromethyl methyl sulfide,chlorodimethyl sulfide,methylthiomethyl chloride,chloro methylthio methane,methane, chloro methylthio,chlorodimethyl thioether,chloromethyl methyl thioether,monochlorodimethyl sulfide,chloro methylsulfanyl methane,clorodimetilsolfuro
IUPAC Name chloro(methylsulfanyl)methane
InChI Key JWMLCCRPDOIBAV-UHFFFAOYSA-N
Molecular Formula C2H5ClS
11
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2-(Phenylthio)thiophene, 97+%

CAS: 16718-12-0 Molecular Formula: C10H8S2 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00052141 InChI Key: JQTBWKNYWACCRU-UHFFFAOYSA-N PubChem CID: 2778915 IUPAC Name: 2-phenylsulfanylthiophene SMILES: S(C1=CC=CS1)C1=CC=CC=C1

PubChem CID 2778915
CAS 16718-12-0
Molecular Weight (g/mol) 192.29
MDL Number MFCD00052141
SMILES S(C1=CC=CS1)C1=CC=CC=C1
IUPAC Name 2-phenylsulfanylthiophene
InChI Key JQTBWKNYWACCRU-UHFFFAOYSA-N
Molecular Formula C10H8S2
12
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(Methylthio)acetonitrile, 99%

CAS: 35120-10-6 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00001925 InChI Key: ZRIGDBVSVFSVLL-UHFFFAOYSA-N Synonym: methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h PubChem CID: 99295 IUPAC Name: 2-methylsulfanylacetonitrile SMILES: CSCC#N

PubChem CID 99295
CAS 35120-10-6
Molecular Weight (g/mol) 87.14
MDL Number MFCD00001925
SMILES CSCC#N
Synonym methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h
IUPAC Name 2-methylsulfanylacetonitrile
InChI Key ZRIGDBVSVFSVLL-UHFFFAOYSA-N
Molecular Formula C3H5NS
13
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4-Nitrophenyl phenyl sulfide, 98%

CAS: 952-97-6 Molecular Formula: C12H9NO2S Molecular Weight (g/mol): 231.27 MDL Number: MFCD00024700 InChI Key: RJCBYBQJVXVVKB-UHFFFAOYSA-N Synonym: 4-nitrophenyl phenyl sulfide,4-nitrodiphenyl sulfide,1-nitro-4-phenylsulfanyl benzene,p-nitrodiphenyl sulfide,p-nitrophenyl phenyl sulfide,4-nitrodiphenyl thioether,1-nitro-4-phenylthio benzene,phenyl p-nitrophenylsulfide,benzene, 1-nitro-4-phenylthio,sulfide, p-nitrophenyl phenyl PubChem CID: 13720 IUPAC Name: 1-nitro-4-phenylsulfanylbenzene SMILES: [O-][N+](=O)C1=CC=C(SC2=CC=CC=C2)C=C1

PubChem CID 13720
CAS 952-97-6
Molecular Weight (g/mol) 231.27
MDL Number MFCD00024700
SMILES [O-][N+](=O)C1=CC=C(SC2=CC=CC=C2)C=C1
Synonym 4-nitrophenyl phenyl sulfide,4-nitrodiphenyl sulfide,1-nitro-4-phenylsulfanyl benzene,p-nitrodiphenyl sulfide,p-nitrophenyl phenyl sulfide,4-nitrodiphenyl thioether,1-nitro-4-phenylthio benzene,phenyl p-nitrophenylsulfide,benzene, 1-nitro-4-phenylthio,sulfide, p-nitrophenyl phenyl
IUPAC Name 1-nitro-4-phenylsulfanylbenzene
InChI Key RJCBYBQJVXVVKB-UHFFFAOYSA-N
Molecular Formula C12H9NO2S
14
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3-Methylthio-1-propylamine, 97%

CAS: 4104-45-4 Molecular Formula: C4H11NS Molecular Weight (g/mol): 105.199 MDL Number: MFCD00041898 InChI Key: KKYSBGWCYXYOHA-UHFFFAOYSA-N Synonym: 3-methylthiopropylamine,3-methylthio propylamine,1-propanamine, 3-methylthio,3-methylthiopropanamine,methylmercaptopropylamine,unii-1iap0cgd5s,3-methylmercaptopropylamine,3-methylthio-1-propanamine,3-methylsulfanyl propan-1-amine,1iap0cgd5s PubChem CID: 77743 ChEBI: CHEBI:16696 IUPAC Name: 3-methylsulfanylpropan-1-amine SMILES: CSCCCN

PubChem CID 77743
CAS 4104-45-4
Molecular Weight (g/mol) 105.199
ChEBI CHEBI:16696
MDL Number MFCD00041898
SMILES CSCCCN
Synonym 3-methylthiopropylamine,3-methylthio propylamine,1-propanamine, 3-methylthio,3-methylthiopropanamine,methylmercaptopropylamine,unii-1iap0cgd5s,3-methylmercaptopropylamine,3-methylthio-1-propanamine,3-methylsulfanyl propan-1-amine,1iap0cgd5s
IUPAC Name 3-methylsulfanylpropan-1-amine
InChI Key KKYSBGWCYXYOHA-UHFFFAOYSA-N
Molecular Formula C4H11NS
15
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(Benzylthio)acetone, 98%, Thermo Scientific Chemicals

CAS: 10230-69-0 Molecular Formula: C10H12OS Molecular Weight (g/mol): 180.265 MDL Number: MFCD00026241 InChI Key: OIEDQMIEPJIRFT-UHFFFAOYSA-N Synonym: 1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone PubChem CID: 82472 IUPAC Name: 1-benzylsulfanylpropan-2-one SMILES: CC(=O)CSCC1=CC=CC=C1

PubChem CID 82472
CAS 10230-69-0
Molecular Weight (g/mol) 180.265
MDL Number MFCD00026241
SMILES CC(=O)CSCC1=CC=CC=C1
Synonym 1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone
IUPAC Name 1-benzylsulfanylpropan-2-one
InChI Key OIEDQMIEPJIRFT-UHFFFAOYSA-N
Molecular Formula C10H12OS