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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
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1

Diethyl disulfide, 99%

CAS: 110-81-6 Molecular Formula: C4H10S2 Molecular Weight (g/mol): 122.244 MDL Number: MFCD00009266 InChI Key: CETBSQOFQKLHHZ-UHFFFAOYSA-N Synonym: diethyl disulfide,ethyl disulfide,disulfide, diethyl,diethyl disulphide,ethyldithioethane,3,4-dithiahexane,ethyl disulphide,ethyldisulfanyl ethane,diethyldisulfid,diethyldisulfide PubChem CID: 8077 IUPAC Name: (ethyldisulfanyl)ethane SMILES: CCSSCC

PubChem CID 8077
CAS 110-81-6
Molecular Weight (g/mol) 122.244
MDL Number MFCD00009266
SMILES CCSSCC
Synonym diethyl disulfide,ethyl disulfide,disulfide, diethyl,diethyl disulphide,ethyldithioethane,3,4-dithiahexane,ethyl disulphide,ethyldisulfanyl ethane,diethyldisulfid,diethyldisulfide
IUPAC Name (ethyldisulfanyl)ethane
InChI Key CETBSQOFQKLHHZ-UHFFFAOYSA-N
Molecular Formula C4H10S2
2

N-tert-Butyl-2-benzothiazolesulfenamide, 97%

CAS: 95-31-8 Molecular Formula: C11H14N2S2 Molecular Weight (g/mol): 238.37 MDL Number: MFCD00022873 InChI Key: IUJLOAKJZQBENM-UHFFFAOYSA-N Synonym: n-tert-butyl-2-benzothiazolesulfenamide,santocure ns,nocceler ns,vulkacit nz,accel bns,pennac tbbs,vanax ns,s-benzo d thiazol-2-yl-n-tert-butyl thiohydroxylamine,2-benzothiazolesulfenamide, n-1,1-dimethylethyl,2-benzothiazolesulfenamide, n-tert-butyl PubChem CID: 7230 IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine SMILES: CC(C)(C)NSC1=NC2=CC=CC=C2S1

PubChem CID 7230
CAS 95-31-8
Molecular Weight (g/mol) 238.37
MDL Number MFCD00022873
SMILES CC(C)(C)NSC1=NC2=CC=CC=C2S1
Synonym n-tert-butyl-2-benzothiazolesulfenamide,santocure ns,nocceler ns,vulkacit nz,accel bns,pennac tbbs,vanax ns,s-benzo d thiazol-2-yl-n-tert-butyl thiohydroxylamine,2-benzothiazolesulfenamide, n-1,1-dimethylethyl,2-benzothiazolesulfenamide, n-tert-butyl
IUPAC Name N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
InChI Key IUJLOAKJZQBENM-UHFFFAOYSA-N
Molecular Formula C11H14N2S2
3

1,1-Bis(methylthio)-2-nitroethylene, 99%

CAS: 13623-94-4 Molecular Formula: C4H7NO2S2 Molecular Weight (g/mol): 165.24 MDL Number: MFCD00010443 InChI Key: NXGHEDHQXXXTTP-UHFFFAOYSA-N Synonym: 1,1-bis methylthio-2-nitroethylene,1,1-bis methylsulfanyl-2-nitroethene,1,1-dimethylthio-2-nitroethylene,1-nitro-2,2-bis methylthio ethylene,ethene, 1,1-bis methylthio-2-nitro,1,1-bis methylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethene,1,1-dimethylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethylene PubChem CID: 83623 IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitroethene SMILES: CSC(=C[N+](=O)[O-])SC

PubChem CID 83623
CAS 13623-94-4
Molecular Weight (g/mol) 165.24
MDL Number MFCD00010443
SMILES CSC(=C[N+](=O)[O-])SC
Synonym 1,1-bis methylthio-2-nitroethylene,1,1-bis methylsulfanyl-2-nitroethene,1,1-dimethylthio-2-nitroethylene,1-nitro-2,2-bis methylthio ethylene,ethene, 1,1-bis methylthio-2-nitro,1,1-bis methylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethene,1,1-dimethylthio-2-nitroethene,1,1-bis-methylthio-2-nitroethylene
IUPAC Name 1,1-bis(methylsulfanyl)-2-nitroethene
InChI Key NXGHEDHQXXXTTP-UHFFFAOYSA-N
Molecular Formula C4H7NO2S2
4

tert-Butyl disulfide, 98%

CAS: 110-06-5 Molecular Formula: C8H18S2 Molecular Weight (g/mol): 178.35 MDL Number: MFCD00008838 InChI Key: BKCNDTDWDGQHSD-UHFFFAOYSA-N Synonym: di-tert-butyl disulfide,disulfide, bis 1,1-dimethylethyl,1,2-di-tert-butyldisulfane,di-tert-butyl disulphide,tert-butyl disulfide,t-butyl disulfide,2-tert-butyldisulfanyl-2-methylpropane,di-t-butyl disulfide,t-butyldisulfide,2,2'-dithiobis 2-methylpropane PubChem CID: 66060 IUPAC Name: 2-(tert-butyldisulfanyl)-2-methylpropane SMILES: CC(C)(C)SSC(C)(C)C

PubChem CID 66060
CAS 110-06-5
Molecular Weight (g/mol) 178.35
MDL Number MFCD00008838
SMILES CC(C)(C)SSC(C)(C)C
Synonym di-tert-butyl disulfide,disulfide, bis 1,1-dimethylethyl,1,2-di-tert-butyldisulfane,di-tert-butyl disulphide,tert-butyl disulfide,t-butyl disulfide,2-tert-butyldisulfanyl-2-methylpropane,di-t-butyl disulfide,t-butyldisulfide,2,2'-dithiobis 2-methylpropane
IUPAC Name 2-(tert-butyldisulfanyl)-2-methylpropane
InChI Key BKCNDTDWDGQHSD-UHFFFAOYSA-N
Molecular Formula C8H18S2
5

Di-n-hexyl disulfide, tech. 85%

CAS: 10496-15-8 Molecular Formula: C12H26S2 Molecular Weight (g/mol): 234.46 MDL Number: MFCD00027300 InChI Key: GJPDBURPGLWRPW-UHFFFAOYSA-N Synonym: hexyl disulfide,dihexyl disulfide,di-n-hexyl disulfide,disulfide, dihexyl,dihexyl disulphide,1-hexyldisulfanyl hexane,disulfide,dihexyl,dihexyl persulfide,n-hexyl disulfide,di-n-hexyldisulfide PubChem CID: 82675 IUPAC Name: 1-(hexyldisulfanyl)hexane SMILES: CCCCCCSSCCCCCC

PubChem CID 82675
CAS 10496-15-8
Molecular Weight (g/mol) 234.46
MDL Number MFCD00027300
SMILES CCCCCCSSCCCCCC
Synonym hexyl disulfide,dihexyl disulfide,di-n-hexyl disulfide,disulfide, dihexyl,dihexyl disulphide,1-hexyldisulfanyl hexane,disulfide,dihexyl,dihexyl persulfide,n-hexyl disulfide,di-n-hexyldisulfide
IUPAC Name 1-(hexyldisulfanyl)hexane
InChI Key GJPDBURPGLWRPW-UHFFFAOYSA-N
Molecular Formula C12H26S2
6

Cystamine Dihydrochloride, 97%

CAS: 56-17-7 Molecular Formula: C4H12N2S2·2HCl Molecular Weight (g/mol): 225.2 MDL Number: MFCD00012905 InChI Key: YUFRRMZSSPQMOS-UHFFFAOYSA-N Synonym: cystamine dihydrochloride,cystamin dihydrochloride,ethanamine, 2,2'-dithiobis-, dihydrochloride,usaf cb-34,2,2'-disulfanediyldiethanamine dihydrochloride,2-aminoethyl disulfide dihydrochloride,bis 2-aminoethyl disulfide dihydrochloride,cystamine 2hcl,2,2'-dithiodi ethylammonium dichloride,decarboxycystine dihydrochloride PubChem CID: 5941 IUPAC Name: 2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride SMILES: C(CSSCCN)N.Cl.Cl

PubChem CID 5941
CAS 56-17-7
Molecular Weight (g/mol) 225.2
MDL Number MFCD00012905
SMILES C(CSSCCN)N.Cl.Cl
Synonym cystamine dihydrochloride,cystamin dihydrochloride,ethanamine, 2,2'-dithiobis-, dihydrochloride,usaf cb-34,2,2'-disulfanediyldiethanamine dihydrochloride,2-aminoethyl disulfide dihydrochloride,bis 2-aminoethyl disulfide dihydrochloride,cystamine 2hcl,2,2'-dithiodi ethylammonium dichloride,decarboxycystine dihydrochloride
IUPAC Name 2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
InChI Key YUFRRMZSSPQMOS-UHFFFAOYSA-N
Molecular Formula C4H12N2S2·2HCl
7

S-Boc-2-mercapto-4,6-dimethylpyrimidine, 97%

CAS: 41840-28-2 Molecular Formula: C11H16N2O2S Molecular Weight (g/mol): 240.32 MDL Number: MFCD00006080 InChI Key: POTDIELOEHTPJN-UHFFFAOYSA-N Synonym: s-boc-2-mercapto-4,6-dimethylpyrimidine,ccris 2600,2-tert-butoxycarbonylthio-4,6-dimethylpyrimidine,2-boc-thio-4,6-dimethylpyrimidine,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiocarbonate,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiolcarbonate,o-tert-butyl s-4,6-dimethylpyrimidin-2-yl carbonothioate,carbonothioic acid, o-1,1-dimethylethyl s-4,6-dimethyl-2-pyrimidinyl ester,tert-butyl 4,6-dimethylpyrimidin-2-yl sulfanylformate,thiocarbonic acid, o-tert-butyl s-4,6-dimethyl-2-pyrimidinyl ester PubChem CID: 148428 IUPAC Name: tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate SMILES: CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1

PubChem CID 148428
CAS 41840-28-2
Molecular Weight (g/mol) 240.32
MDL Number MFCD00006080
SMILES CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1
Synonym s-boc-2-mercapto-4,6-dimethylpyrimidine,ccris 2600,2-tert-butoxycarbonylthio-4,6-dimethylpyrimidine,2-boc-thio-4,6-dimethylpyrimidine,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiocarbonate,tert-butyl s-4,6-dimethylpyrimidin-2-yl thiolcarbonate,o-tert-butyl s-4,6-dimethylpyrimidin-2-yl carbonothioate,carbonothioic acid, o-1,1-dimethylethyl s-4,6-dimethyl-2-pyrimidinyl ester,tert-butyl 4,6-dimethylpyrimidin-2-yl sulfanylformate,thiocarbonic acid, o-tert-butyl s-4,6-dimethyl-2-pyrimidinyl ester
IUPAC Name tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
InChI Key POTDIELOEHTPJN-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
8

Isopropyl disulfide, 96%

CAS: 4253-89-8 Molecular Formula: C6H14S2 Molecular Weight (g/mol): 150.3 MDL Number: MFCD00008894 InChI Key: LZAZXBXPKRULLB-UHFFFAOYSA-N Synonym: diisopropyl disulfide,isopropyl disulfide,diisopropyl disulphide,disulfide, bis 1-methylethyl,2,2'-dithiodipropane,1,2-diisopropyldisulfane,2,5-dimethyl-3,4-dithiahexane,isopropyldisulfide,unii-bp550p623a,isopropyl disulfide 8ci PubChem CID: 77932 IUPAC Name: 2-(propan-2-yldisulfanyl)propane SMILES: CC(C)SSC(C)C

PubChem CID 77932
CAS 4253-89-8
Molecular Weight (g/mol) 150.3
MDL Number MFCD00008894
SMILES CC(C)SSC(C)C
Synonym diisopropyl disulfide,isopropyl disulfide,diisopropyl disulphide,disulfide, bis 1-methylethyl,2,2'-dithiodipropane,1,2-diisopropyldisulfane,2,5-dimethyl-3,4-dithiahexane,isopropyldisulfide,unii-bp550p623a,isopropyl disulfide 8ci
IUPAC Name 2-(propan-2-yldisulfanyl)propane
InChI Key LZAZXBXPKRULLB-UHFFFAOYSA-N
Molecular Formula C6H14S2
9

Methyl disulfide, 99%

CAS: 624-92-0 Molecular Formula: C2H6S2 Molecular Weight (g/mol): 94.19 MDL Number: MFCD00008561 InChI Key: WQOXQRCZOLPYPM-UHFFFAOYSA-N Synonym: dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane PubChem CID: 12232 ChEBI: CHEBI:4608 IUPAC Name: (methyldisulfanyl)methane SMILES: CSSC

PubChem CID 12232
CAS 624-92-0
Molecular Weight (g/mol) 94.19
ChEBI CHEBI:4608
MDL Number MFCD00008561
SMILES CSSC
Synonym dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane
IUPAC Name (methyldisulfanyl)methane
InChI Key WQOXQRCZOLPYPM-UHFFFAOYSA-N
Molecular Formula C2H6S2
10

N,N'-Bis(acryloyl)cystamine, 98%

CAS: 60984-57-8 Molecular Formula: C10H16N2O2S2 Molecular Weight (g/mol): 260.37 MDL Number: MFCD00036225 InChI Key: DJVKJGIZQFBFGS-UHFFFAOYSA-N Synonym: n,n'-bis acryloyl cystamine,n,n'-bisacrylylcystamine,2-propenamide, n,n'-dithiodi-2,1-ethanediyl bis,2,2'-bisacrylamino diethyldisulfide,bis-acrylylcystamine: bac,n,n'-dithiodi-2,1-ethanediyl bis acrylamide,n-2-2-prop-2-enamido ethyl disulfanyl ethyl prop-2-enamide,n-2-2-prop-2-enoylamino ethyldisulfanyl ethyl prop-2-enamide,acmc-20ak9p,n,n-bis-acrylylcystamine PubChem CID: 100602 IUPAC Name: N-[2-[2-(prop-2-enoylamino)ethyldisulfanyl]ethyl]prop-2-enamide SMILES: C=CC(=O)NCCSSCCNC(=O)C=C

PubChem CID 100602
CAS 60984-57-8
Molecular Weight (g/mol) 260.37
MDL Number MFCD00036225
SMILES C=CC(=O)NCCSSCCNC(=O)C=C
Synonym n,n'-bis acryloyl cystamine,n,n'-bisacrylylcystamine,2-propenamide, n,n'-dithiodi-2,1-ethanediyl bis,2,2'-bisacrylamino diethyldisulfide,bis-acrylylcystamine: bac,n,n'-dithiodi-2,1-ethanediyl bis acrylamide,n-2-2-prop-2-enamido ethyl disulfanyl ethyl prop-2-enamide,n-2-2-prop-2-enoylamino ethyldisulfanyl ethyl prop-2-enamide,acmc-20ak9p,n,n-bis-acrylylcystamine
IUPAC Name N-[2-[2-(prop-2-enoylamino)ethyldisulfanyl]ethyl]prop-2-enamide
InChI Key DJVKJGIZQFBFGS-UHFFFAOYSA-N
Molecular Formula C10H16N2O2S2
11

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
12

Methyl phenyl sulfoxide, 98+%

CAS: 1193-82-4 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.21 MDL Number: MFCD00002088 InChI Key: JXTGICXCHWMCPM-UHFFFAOYSA-N Synonym: methyl phenyl sulfoxide,methylsulfinyl benzene,thioanisole s-oxide,phenyl methyl sulfoxide,sulfoxide, methyl phenyl,benzene, methylsulfinyl,methanesulfinylbenzene,methylphenylsulfoxide,methylsulphinyl benzene PubChem CID: 14516 IUPAC Name: methylsulfinylbenzene SMILES: CS(=O)C1=CC=CC=C1

PubChem CID 14516
CAS 1193-82-4
Molecular Weight (g/mol) 140.21
MDL Number MFCD00002088
SMILES CS(=O)C1=CC=CC=C1
Synonym methyl phenyl sulfoxide,methylsulfinyl benzene,thioanisole s-oxide,phenyl methyl sulfoxide,sulfoxide, methyl phenyl,benzene, methylsulfinyl,methanesulfinylbenzene,methylphenylsulfoxide,methylsulphinyl benzene
IUPAC Name methylsulfinylbenzene
InChI Key JXTGICXCHWMCPM-UHFFFAOYSA-N
Molecular Formula C7H8OS
13

Phenyl sulfoxide, 97%

CAS: 945-51-7 Molecular Formula: C12H10OS Molecular Weight (g/mol): 202.27 MDL Number: MFCD00002085 InChI Key: JJHHIJFTHRNPIK-UHFFFAOYSA-N Synonym: diphenyl sulfoxide,phenyl sulfoxide,sulfinyldibenzene,phenylsulfinylbenzene,diphenyl sulphoxide,sulfoxide, diphenyl,diphenylsulfoxide,benzene, 1,1'-sulfinylbis,1,1'-sulfinyldibenzene,phenylsulfinyl benzene PubChem CID: 13679 IUPAC Name: benzenesulfinylbenzene SMILES: C1=CC=C(C=C1)S(=O)C2=CC=CC=C2

PubChem CID 13679
CAS 945-51-7
Molecular Weight (g/mol) 202.27
MDL Number MFCD00002085
SMILES C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
Synonym diphenyl sulfoxide,phenyl sulfoxide,sulfinyldibenzene,phenylsulfinylbenzene,diphenyl sulphoxide,sulfoxide, diphenyl,diphenylsulfoxide,benzene, 1,1'-sulfinylbis,1,1'-sulfinyldibenzene,phenylsulfinyl benzene
IUPAC Name benzenesulfinylbenzene
InChI Key JJHHIJFTHRNPIK-UHFFFAOYSA-N
Molecular Formula C12H10OS
14

Tetramethylene sulfoxide, 97%

CAS: 1600-44-8 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.17 MDL Number: MFCD00005477 InChI Key: ISXOBTBCNRIIQO-UHFFFAOYSA-N Synonym: tetramethylene sulfoxide,tetrahydrothiophene 1-oxide,thiophane oxide,tetrahydrothiophene oxide,thiophane monoxide,thiophane 1-oxide,thiophene, tetrahydro-, 1-oxide,tetramethylene sulphoxide,thiophene, tetrahydro, 1-oxide,tetrametylene sulfoxide PubChem CID: 1128 IUPAC Name: thiolane 1-oxide SMILES: C1CCS(=O)C1

PubChem CID 1128
CAS 1600-44-8
Molecular Weight (g/mol) 104.17
MDL Number MFCD00005477
SMILES C1CCS(=O)C1
Synonym tetramethylene sulfoxide,tetrahydrothiophene 1-oxide,thiophane oxide,tetrahydrothiophene oxide,thiophane monoxide,thiophane 1-oxide,thiophene, tetrahydro-, 1-oxide,tetramethylene sulphoxide,thiophene, tetrahydro, 1-oxide,tetrametylene sulfoxide
IUPAC Name thiolane 1-oxide
InChI Key ISXOBTBCNRIIQO-UHFFFAOYSA-N
Molecular Formula C4H8OS
15

Diphenyl sulfoxide, 98+%

CAS: 945-51-7 Molecular Formula: C12H10OS Molecular Weight (g/mol): 202.271 MDL Number: MFCD00002085 InChI Key: JJHHIJFTHRNPIK-UHFFFAOYSA-N Synonym: diphenyl sulfoxide,phenyl sulfoxide,sulfinyldibenzene,phenylsulfinylbenzene,diphenyl sulphoxide,sulfoxide, diphenyl,diphenylsulfoxide,benzene, 1,1'-sulfinylbis,1,1'-sulfinyldibenzene,phenylsulfinyl benzene PubChem CID: 13679 IUPAC Name: benzenesulfinylbenzene SMILES: C1=CC=C(C=C1)S(=O)C2=CC=CC=C2

PubChem CID 13679
CAS 945-51-7
Molecular Weight (g/mol) 202.271
MDL Number MFCD00002085
SMILES C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
Synonym diphenyl sulfoxide,phenyl sulfoxide,sulfinyldibenzene,phenylsulfinylbenzene,diphenyl sulphoxide,sulfoxide, diphenyl,diphenylsulfoxide,benzene, 1,1'-sulfinylbis,1,1'-sulfinyldibenzene,phenylsulfinyl benzene
IUPAC Name benzenesulfinylbenzene
InChI Key JJHHIJFTHRNPIK-UHFFFAOYSA-N
Molecular Formula C12H10OS