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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(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

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Specifications

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

4-Methyl-2-(methylthio)pyrimidine, 98%, Thermo Scientific Chemicals

CAS: 14001-63-9 Molecular Formula: C6H8N2S Molecular Weight (g/mol): 140.204 MDL Number: MFCD00023242 InChI Key: UCERVHYBSTYCQS-UHFFFAOYSA-N Synonym: 4-methyl-2-methylthio pyrimidine,4-methyl-2 methylsulfanyl pyrimidine,4-methyl-2-methylsulfanyl pyrimidine,pyrimidine, 4-methyl-2-methylthio,4-methyl-2-methylsulfanyl-pyrimidine,2-methylthio-4-methylpyrimidine,4-methyl-2-methylthiopyrimidine,4-methyl-2-methylsulphanyl pyrimidine,acmc-1bust,methylmethylsulfanylpyrimidine PubChem CID: 821261 IUPAC Name: 4-methyl-2-methylsulfanylpyrimidine SMILES: CC1=NC(=NC=C1)SC

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Specifications

PubChem CID	821261
CAS	14001-63-9
Molecular Weight (g/mol)	140.204
MDL Number	MFCD00023242
SMILES	CC1=NC(=NC=C1)SC
Synonym	4-methyl-2-methylthio pyrimidine,4-methyl-2 methylsulfanyl pyrimidine,4-methyl-2-methylsulfanyl pyrimidine,pyrimidine, 4-methyl-2-methylthio,4-methyl-2-methylsulfanyl-pyrimidine,2-methylthio-4-methylpyrimidine,4-methyl-2-methylthiopyrimidine,4-methyl-2-methylsulphanyl pyrimidine,acmc-1bust,methylmethylsulfanylpyrimidine
IUPAC Name	4-methyl-2-methylsulfanylpyrimidine
InChI Key	UCERVHYBSTYCQS-UHFFFAOYSA-N
Molecular Formula	C6H8N2S

Diethyl sulfide, 96%

CAS: 352-93-2 Molecular Formula: C4H10S Molecular Weight (g/mol): 90.18 MDL Number: MFCD00009270 InChI Key: LJSQFQKUNVCTIA-UHFFFAOYSA-N Synonym: diethyl sulfide,ethyl sulfide,ethyl thioether,3-thiapentane,diethylthioether,thioethyl ether,ethylthioethane,1,1'-thiobisethane,diethyl sulphide,ethane, 1,1'-thiobis PubChem CID: 9609 ChEBI: CHEBI:27710 IUPAC Name: ethylsulfanylethane SMILES: CCSCC

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Specifications

PubChem CID	9609
CAS	352-93-2
Molecular Weight (g/mol)	90.18
ChEBI	CHEBI:27710
MDL Number	MFCD00009270
SMILES	CCSCC
Synonym	diethyl sulfide,ethyl sulfide,ethyl thioether,3-thiapentane,diethylthioether,thioethyl ether,ethylthioethane,1,1'-thiobisethane,diethyl sulphide,ethane, 1,1'-thiobis
IUPAC Name	ethylsulfanylethane
InChI Key	LJSQFQKUNVCTIA-UHFFFAOYSA-N
Molecular Formula	C4H10S

Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.25 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane PubChem CID: 81553 SMILES: CSC1CCCCC1

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Specifications

PubChem CID	81553
CAS	7133-37-1
Molecular Weight (g/mol)	130.25
MDL Number	MFCD00039460
SMILES	CSC1CCCCC1
Synonym	cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane
InChI Key	QQBIOCGHCKNYGP-UHFFFAOYSA-N
Molecular Formula	C7H14S

4,6-Diamino-2-(methylthio)pyrimidine, 97%, Thermo Scientific Chemicals

CAS: 1005-39-6 Molecular Formula: C5H8N4S Molecular Weight (g/mol): 156.207 MDL Number: MFCD00023241 InChI Key: AHAIUNAIAHSWPG-UHFFFAOYSA-N Synonym: 4,6-diamino-2-methylmercaptopyrimidine,2-methylthio pyrimidine-4,6-diamine,2-methylthiopyrimidine-4,6-diamine,4,6-diamino-2-methylthiopyrimidine,4,6-pyrimidinediamine, 2-methylthio,4,6-diamino-2-methylthio pyrimidine,2-methylsulfanyl pyrimidine-4,6-diamine,2-methylthio-4,6-diaminopyrimidine,4,6-diamino-2-methyl-mercaptopyrimidine,pyrimidine, 4,6-diamino-2-methylthio PubChem CID: 70497 IUPAC Name: 2-methylsulfanylpyrimidine-4,6-diamine SMILES: CSC1=NC(=CC(=N1)N)N

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Specifications

PubChem CID	70497
CAS	1005-39-6
Molecular Weight (g/mol)	156.207
MDL Number	MFCD00023241
SMILES	CSC1=NC(=CC(=N1)N)N
Synonym	4,6-diamino-2-methylmercaptopyrimidine,2-methylthio pyrimidine-4,6-diamine,2-methylthiopyrimidine-4,6-diamine,4,6-diamino-2-methylthiopyrimidine,4,6-pyrimidinediamine, 2-methylthio,4,6-diamino-2-methylthio pyrimidine,2-methylsulfanyl pyrimidine-4,6-diamine,2-methylthio-4,6-diaminopyrimidine,4,6-diamino-2-methyl-mercaptopyrimidine,pyrimidine, 4,6-diamino-2-methylthio
IUPAC Name	2-methylsulfanylpyrimidine-4,6-diamine
InChI Key	AHAIUNAIAHSWPG-UHFFFAOYSA-N
Molecular Formula	C5H8N4S

2-(Methylthio)ethanol, 99%

CAS: 5271-38-5 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00002908 InChI Key: WBBPRCNXBQTYLF-UHFFFAOYSA-N Synonym: 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol PubChem CID: 78925 ChEBI: CHEBI:63861 IUPAC Name: 2-methylsulfanylethanol SMILES: CSCCO

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Specifications

PubChem CID	78925
CAS	5271-38-5
Molecular Weight (g/mol)	92.16
ChEBI	CHEBI:63861
MDL Number	MFCD00002908
SMILES	CSCCO
Synonym	2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol
IUPAC Name	2-methylsulfanylethanol
InChI Key	WBBPRCNXBQTYLF-UHFFFAOYSA-N
Molecular Formula	C3H8OS

tert-Butyl methyl sulfide, 98+%

CAS: 6163-64-0 Molecular Formula: C5H12S Molecular Weight (g/mol): 104.21 MDL Number: MFCD00008840 InChI Key: CJFVCTVYZFTORU-UHFFFAOYSA-N Synonym: tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx PubChem CID: 138679 IUPAC Name: 2-methyl-2-methylsulfanylpropane SMILES: CSC(C)(C)C

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Specifications

PubChem CID	138679
CAS	6163-64-0
Molecular Weight (g/mol)	104.21
MDL Number	MFCD00008840
SMILES	CSC(C)(C)C
Synonym	tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx
IUPAC Name	2-methyl-2-methylsulfanylpropane
InChI Key	CJFVCTVYZFTORU-UHFFFAOYSA-N
Molecular Formula	C5H12S

Thioxanthene, 98%

CAS: 261-31-4 Molecular Formula: C13H10S Molecular Weight (g/mol): 198.28 MDL Number: MFCD00046936 InChI Key: PQJUJGAVDBINPI-UHFFFAOYSA-N Synonym: thioxanthene,10h-dibenzo b,e thiin,thiaxanthen,thioxanthen,dibenzothiapyran,9h-thioxanthen,10h-dibenzo b,e thiopyran,chembl79451 PubChem CID: 67495 ChEBI: CHEBI:51055 IUPAC Name: 9H-thioxanthene SMILES: C1C2=CC=CC=C2SC2=CC=CC=C12

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Specifications

PubChem CID	67495
CAS	261-31-4
Molecular Weight (g/mol)	198.28
ChEBI	CHEBI:51055
MDL Number	MFCD00046936
SMILES	C1C2=CC=CC=C2SC2=CC=CC=C12
Synonym	thioxanthene,10h-dibenzo b,e thiin,thiaxanthen,thioxanthen,dibenzothiapyran,9h-thioxanthen,10h-dibenzo b,e thiopyran,chembl79451
IUPAC Name	9H-thioxanthene
InChI Key	PQJUJGAVDBINPI-UHFFFAOYSA-N
Molecular Formula	C13H10S

2-Mercaptoethyl sulfide, 90%

CAS: 3570-55-6 Molecular Formula: C4H10S3 Molecular Weight (g/mol): 154.30 MDL Number: MFCD00004893 InChI Key: KSJBMDCFYZKAFH-UHFFFAOYSA-N Synonym: 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi PubChem CID: 77117 IUPAC Name: 2-(2-sulfanylethylsulfanyl)ethanethiol SMILES: SCCSCCS

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Specifications

PubChem CID	77117
CAS	3570-55-6
Molecular Weight (g/mol)	154.30
MDL Number	MFCD00004893
SMILES	SCCSCCS
Synonym	2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi
IUPAC Name	2-(2-sulfanylethylsulfanyl)ethanethiol
InChI Key	KSJBMDCFYZKAFH-UHFFFAOYSA-N
Molecular Formula	C4H10S3

Di-n-octyl sulfide, 97%

CAS: 2690-08-6 MDL Number: MFCD00009566

Pricing and Availability
Specifications

CAS	2690-08-6
MDL Number	MFCD00009566

1-Methylthio-2-propanone, 98+%

CAS: 14109-72-9 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.17 MDL Number: MFCD00015325 InChI Key: UKFADLGENFFWHR-UHFFFAOYSA-N Synonym: 1-methylthio-2-propanone,methylthio acetone,2-thia-4-pentanone,unii-s6v0dw7bqa,1-methylsulfanyl propan-2-one,2-propanone, 1-methylthio,methylthio-2-propanone,acetonyl methyl sulfide,1-methylsulfanyl acetone,s6v0dw7bqa PubChem CID: 6430713 IUPAC Name: 1-methylsulfanylpropan-2-one SMILES: CSCC(C)=O

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Specifications

PubChem CID	6430713
CAS	14109-72-9
Molecular Weight (g/mol)	104.17
MDL Number	MFCD00015325
SMILES	CSCC(C)=O
Synonym	1-methylthio-2-propanone,methylthio acetone,2-thia-4-pentanone,unii-s6v0dw7bqa,1-methylsulfanyl propan-2-one,2-propanone, 1-methylthio,methylthio-2-propanone,acetonyl methyl sulfide,1-methylsulfanyl acetone,s6v0dw7bqa
IUPAC Name	1-methylsulfanylpropan-2-one
InChI Key	UKFADLGENFFWHR-UHFFFAOYSA-N
Molecular Formula	C4H8OS

Epithiochlorohydrine, 97%

CAS: 3221-15-6 Molecular Formula: C₃H₅ClS Molecular Weight (g/mol): 108.59 MDL Number: MFCD00041199 InChI Key: XRWMHJJHPQTTLQ-UHFFFAOYSA-N Synonym: 2-chloromethyl thiirane,thioepichlorohydrin,epithiochlorohydrin,thioepichlorhydrin,chloropropylene sulfide,chloromethyl thiirane,3-chloropropylene sulfide,2-thiiranylmethyl chloride,thiirane, chloromethyl,chloropropylene sulphide PubChem CID: 18588 IUPAC Name: 2-(chloromethyl)thiirane SMILES: C1C(S1)CCl

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Specifications

PubChem CID	18588
CAS	3221-15-6
Molecular Weight (g/mol)	108.59
MDL Number	MFCD00041199
SMILES	C1C(S1)CCl
Synonym	2-chloromethyl thiirane,thioepichlorohydrin,epithiochlorohydrin,thioepichlorhydrin,chloropropylene sulfide,chloromethyl thiirane,3-chloropropylene sulfide,2-thiiranylmethyl chloride,thiirane, chloromethyl,chloropropylene sulphide
IUPAC Name	2-(chloromethyl)thiirane
InChI Key	XRWMHJJHPQTTLQ-UHFFFAOYSA-N
Molecular Formula	C₃H₅ClS

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

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Specifications

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

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

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Specifications

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

n-Dodecyl methyl sulfide, Thermo Scientific™

CAS: 3698-89-3 Molecular Formula: C13H28S Molecular Weight (g/mol): 216.43 MDL Number: MFCD00015073 InChI Key: KJWHJDGMOQJLGF-UHFFFAOYSA-N Synonym: dodecyl methyl sulfide,2-thiatetradecane,1-methylsulfanyl dodecane,methylthiododecane,methyl lauryl sulfide,dodecane, 1-methylthio,methyl n-dodecyl sulfide,dodecyl methyl sulphide,sulfide, dodecyl methyl,unii-77bo1dv08u PubChem CID: 77287 IUPAC Name: 1-methylsulfanyldodecane SMILES: CCCCCCCCCCCCSC

Pricing and Availability
Specifications

PubChem CID	77287
CAS	3698-89-3
Molecular Weight (g/mol)	216.43
MDL Number	MFCD00015073
SMILES	CCCCCCCCCCCCSC
Synonym	dodecyl methyl sulfide,2-thiatetradecane,1-methylsulfanyl dodecane,methylthiododecane,methyl lauryl sulfide,dodecane, 1-methylthio,methyl n-dodecyl sulfide,dodecyl methyl sulphide,sulfide, dodecyl methyl,unii-77bo1dv08u
IUPAC Name	1-methylsulfanyldodecane
InChI Key	KJWHJDGMOQJLGF-UHFFFAOYSA-N
Molecular Formula	C13H28S

Thioethers

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