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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

1,4-Benzenedimethanethiol, Thermo Scientific Chemicals

CAS: 105-09-9 Molecular Formula: C8H10S2 Molecular Weight (g/mol): 170.29 InChI Key: IYPNRTQAOXLCQW-UHFFFAOYSA-N IUPAC Name: [4-(sulfanylmethyl)phenyl]methanethiol SMILES: SCC1=CC=C(CS)C=C1

CAS 105-09-9
Molecular Weight (g/mol) 170.29
SMILES SCC1=CC=C(CS)C=C1
IUPAC Name [4-(sulfanylmethyl)phenyl]methanethiol
InChI Key IYPNRTQAOXLCQW-UHFFFAOYSA-N
Molecular Formula C8H10S2
2

Sodium thiomethoxide, 90+%, technical

CAS: 5188-07-8 Molecular Formula: CH3NaS Molecular Weight (g/mol): 70.08 InChI Key: RMBAVIFYHOYIFM-UHFFFAOYSA-M IUPAC Name: sodium methylsulfanide SMILES: [Na+].C[S-]

CAS 5188-07-8
Molecular Weight (g/mol) 70.08
SMILES [Na+].C[S-]
IUPAC Name sodium methylsulfanide
InChI Key RMBAVIFYHOYIFM-UHFFFAOYSA-M
Molecular Formula CH3NaS
3

Methyl thiocyanate, 99%

CAS: 556-64-9 Molecular Formula: C2H3NS Molecular Weight (g/mol): 73.113 MDL Number: MFCD00001830 InChI Key: VYHVQEYOFIYNJP-UHFFFAOYSA-N Synonym: methyl sulfocyanate,methylrhodanid,thiocyanic acid, methyl ester,methyl rhodanate,methylthiokyanat,methane, thiocyanato,thiocyanatomethane,methylthiocyanate,thiocyanic acid methyl ester,ch3scn PubChem CID: 11168 ChEBI: CHEBI:61112 IUPAC Name: methyl thiocyanate SMILES: CSC#N

PubChem CID 11168
CAS 556-64-9
Molecular Weight (g/mol) 73.113
ChEBI CHEBI:61112
MDL Number MFCD00001830
SMILES CSC#N
Synonym methyl sulfocyanate,methylrhodanid,thiocyanic acid, methyl ester,methyl rhodanate,methylthiokyanat,methane, thiocyanato,thiocyanatomethane,methylthiocyanate,thiocyanic acid methyl ester,ch3scn
IUPAC Name methyl thiocyanate
InChI Key VYHVQEYOFIYNJP-UHFFFAOYSA-N
Molecular Formula C2H3NS
4

Benzyl thioacetimidate hydrochloride, 96%

CAS: 32894-07-8 Molecular Formula: C9H12ClNS Molecular Weight (g/mol): 201.712 MDL Number: MFCD05865210 InChI Key: OVQWHRFBVPDPCD-UHFFFAOYSA-N Synonym: s-benzylthioacetimidate, hydrochloride,benzyl thioacetimidate hydrochloride,benzyl thioacetimidate hcl,benzyl ethanimidothioate hydrochloride,1-benzylsulfanyl ethanimine hydrochloride,acmc-20ajr8,s-benzylthioacetimidate hydrochloride,thioacetimidic acid benzyl ester; hydrochloride,benzyl ethanimidothioate-hydrogen chloride 1/1 PubChem CID: 12626231 IUPAC Name: benzyl ethanimidothioate;hydrochloride SMILES: CC(=N)SCC1=CC=CC=C1.Cl

PubChem CID 12626231
CAS 32894-07-8
Molecular Weight (g/mol) 201.712
MDL Number MFCD05865210
SMILES CC(=N)SCC1=CC=CC=C1.Cl
Synonym s-benzylthioacetimidate, hydrochloride,benzyl thioacetimidate hydrochloride,benzyl thioacetimidate hcl,benzyl ethanimidothioate hydrochloride,1-benzylsulfanyl ethanimine hydrochloride,acmc-20ajr8,s-benzylthioacetimidate hydrochloride,thioacetimidic acid benzyl ester; hydrochloride,benzyl ethanimidothioate-hydrogen chloride 1/1
IUPAC Name benzyl ethanimidothioate;hydrochloride
InChI Key OVQWHRFBVPDPCD-UHFFFAOYSA-N
Molecular Formula C9H12ClNS
5

4,4'-Dithiodipyridine, 98%

CAS: 2645-22-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.32 MDL Number: MFCD00006423 InChI Key: UHBAPGWWRFVTFS-UHFFFAOYSA-N Synonym: 4,4'-dithiodipyridine,4,4'-dipyridyl disulfide,1,2-di pyridin-4-yl disulfane,aldrithiol-4,pyridine, 4,4'-dithiobis,4,4'-dithiopyridine,di 4-pyridyl disulfide,aldrithiol 4,di 4-pyridinyl disulfide,4,4'-dipyridine disulfide PubChem CID: 75846 ChEBI: CHEBI:41814 IUPAC Name: 4-(pyridin-4-yldisulfanyl)pyridine SMILES: C1=CN=CC=C1SSC2=CC=NC=C2

PubChem CID 75846
CAS 2645-22-9
Molecular Weight (g/mol) 220.32
ChEBI CHEBI:41814
MDL Number MFCD00006423
SMILES C1=CN=CC=C1SSC2=CC=NC=C2
Synonym 4,4'-dithiodipyridine,4,4'-dipyridyl disulfide,1,2-di pyridin-4-yl disulfane,aldrithiol-4,pyridine, 4,4'-dithiobis,4,4'-dithiopyridine,di 4-pyridyl disulfide,aldrithiol 4,di 4-pyridinyl disulfide,4,4'-dipyridine disulfide
IUPAC Name 4-(pyridin-4-yldisulfanyl)pyridine
InChI Key UHBAPGWWRFVTFS-UHFFFAOYSA-N
Molecular Formula C10H8N2S2
6

2,2'-Dipyridyl disulfide, 98%

CAS: 2127-03-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.31 MDL Number: MFCD00006287 InChI Key: HAXFWIACAGNFHA-UHFFFAOYSA-N Synonym: 2,2'-dithiodipyridine,2,2'-dipyridyl disulfide,1,2-di pyridin-2-yl disulfane,aldrithiol-2,2,2'-dipyridyldisulfide,aldrithiol 2,bis 2-pyridyl disulfide,2-pyridin-2-yldisulfanyl pyridine,2-dipyridyl disulfide,2-pyridinyl disulfide PubChem CID: 65093 IUPAC Name: 2-(pyridin-2-yldisulfanyl)pyridine SMILES: C1=CC=NC(=C1)SSC2=CC=CC=N2

PubChem CID 65093
CAS 2127-03-9
Molecular Weight (g/mol) 220.31
MDL Number MFCD00006287
SMILES C1=CC=NC(=C1)SSC2=CC=CC=N2
Synonym 2,2'-dithiodipyridine,2,2'-dipyridyl disulfide,1,2-di pyridin-2-yl disulfane,aldrithiol-2,2,2'-dipyridyldisulfide,aldrithiol 2,bis 2-pyridyl disulfide,2-pyridin-2-yldisulfanyl pyridine,2-dipyridyl disulfide,2-pyridinyl disulfide
IUPAC Name 2-(pyridin-2-yldisulfanyl)pyridine
InChI Key HAXFWIACAGNFHA-UHFFFAOYSA-N
Molecular Formula C10H8N2S2
7

Formamidine disulfide dihydrochloride, 97%

CAS: 14807-75-1 Molecular Formula: C2H8Cl2N4S2 Molecular Weight (g/mol): 223.13 MDL Number: MFCD00012586 InChI Key: BFJQSCVWXZOXGK-UHFFFAOYSA-N Synonym: formamidine disulfide dihydrochloride,formamdine disulfide dihydrochloride,dithiourea dihydrochloride,c2h6n4s2.2hcl,carbamimidoyldisulfanylmethanimidamide dihydrochloride,formamidine disulfide dihydrochloride disulfide dihydrochloride PubChem CID: 24802135 IUPAC Name: carbamimidoylsulfanyl carbamimidothioate;dihydrochloride SMILES: [Cl-].[Cl-].[NH3+]C(=N)SSC([NH3+])=N

PubChem CID 24802135
CAS 14807-75-1
Molecular Weight (g/mol) 223.13
MDL Number MFCD00012586
SMILES [Cl-].[Cl-].[NH3+]C(=N)SSC([NH3+])=N
Synonym formamidine disulfide dihydrochloride,formamdine disulfide dihydrochloride,dithiourea dihydrochloride,c2h6n4s2.2hcl,carbamimidoyldisulfanylmethanimidamide dihydrochloride,formamidine disulfide dihydrochloride disulfide dihydrochloride
IUPAC Name carbamimidoylsulfanyl carbamimidothioate;dihydrochloride
InChI Key BFJQSCVWXZOXGK-UHFFFAOYSA-N
Molecular Formula C2H8Cl2N4S2
8

Phenyl disulfide, 99%

CAS: 882-33-7 Molecular Formula: C12H10S2 Molecular Weight (g/mol): 218.33 MDL Number: MFCD00003065 InChI Key: GUUVPOWQJOLRAS-UHFFFAOYSA-N Synonym: diphenyl disulfide,phenyl disulfide,disulfide, diphenyl,diphenyldisulfide,1,2-diphenyldisulfane,phenyldisulfanyl benzene,diphenyl disulphide,biphenyl disulfide,disulfide diphenyl,phenyldithiobenzene PubChem CID: 13436 IUPAC Name: (phenyldisulfanyl)benzene SMILES: C1=CC=C(C=C1)SSC2=CC=CC=C2

PubChem CID 13436
CAS 882-33-7
Molecular Weight (g/mol) 218.33
MDL Number MFCD00003065
SMILES C1=CC=C(C=C1)SSC2=CC=CC=C2
Synonym diphenyl disulfide,phenyl disulfide,disulfide, diphenyl,diphenyldisulfide,1,2-diphenyldisulfane,phenyldisulfanyl benzene,diphenyl disulphide,biphenyl disulfide,disulfide diphenyl,phenyldithiobenzene
IUPAC Name (phenyldisulfanyl)benzene
InChI Key GUUVPOWQJOLRAS-UHFFFAOYSA-N
Molecular Formula C12H10S2
9

Diphenyl disulfide, 98%

CAS: 882-33-7 Molecular Formula: C12H10S2 Molecular Weight (g/mol): 218.332 MDL Number: MFCD00003065 InChI Key: GUUVPOWQJOLRAS-UHFFFAOYSA-N Synonym: diphenyl disulfide,phenyl disulfide,disulfide, diphenyl,diphenyldisulfide,1,2-diphenyldisulfane,phenyldisulfanyl benzene,diphenyl disulphide,biphenyl disulfide,disulfide diphenyl,phenyldithiobenzene PubChem CID: 13436 IUPAC Name: (phenyldisulfanyl)benzene SMILES: C1=CC=C(C=C1)SSC2=CC=CC=C2

PubChem CID 13436
CAS 882-33-7
Molecular Weight (g/mol) 218.332
MDL Number MFCD00003065
SMILES C1=CC=C(C=C1)SSC2=CC=CC=C2
Synonym diphenyl disulfide,phenyl disulfide,disulfide, diphenyl,diphenyldisulfide,1,2-diphenyldisulfane,phenyldisulfanyl benzene,diphenyl disulphide,biphenyl disulfide,disulfide diphenyl,phenyldithiobenzene
IUPAC Name (phenyldisulfanyl)benzene
InChI Key GUUVPOWQJOLRAS-UHFFFAOYSA-N
Molecular Formula C12H10S2
10

Bis(4-methoxyphenyl)disulfide, 97%

CAS: 5335-87-5 Molecular Formula: C14H14O2S2 Molecular Weight (g/mol): 278.38 MDL Number: MFCD00041358 InChI Key: PZQGLCGLPMWYBT-UHFFFAOYSA-N Synonym: bis 4-methoxyphenyl disulfide,disulfide, bis 4-methoxyphenyl,p-methoxyphenyl disulfide,4,4'-dimethoxy diphenyldisulfide,4-methoxyphenyl disulfide,anisole, 4,4'-dithiodi,1-methoxy-4-4-methoxyphenyl disulfanyl benzene,1,2-bis 4-methoxyphenyl disulfane,bis p-methoxyphenyl disulfide PubChem CID: 79258 IUPAC Name: 1-methoxy-4-[(4-methoxyphenyl)disulfanyl]benzene SMILES: COC1=CC=C(SSC2=CC=C(OC)C=C2)C=C1

PubChem CID 79258
CAS 5335-87-5
Molecular Weight (g/mol) 278.38
MDL Number MFCD00041358
SMILES COC1=CC=C(SSC2=CC=C(OC)C=C2)C=C1
Synonym bis 4-methoxyphenyl disulfide,disulfide, bis 4-methoxyphenyl,p-methoxyphenyl disulfide,4,4'-dimethoxy diphenyldisulfide,4-methoxyphenyl disulfide,anisole, 4,4'-dithiodi,1-methoxy-4-4-methoxyphenyl disulfanyl benzene,1,2-bis 4-methoxyphenyl disulfane,bis p-methoxyphenyl disulfide
IUPAC Name 1-methoxy-4-[(4-methoxyphenyl)disulfanyl]benzene
InChI Key PZQGLCGLPMWYBT-UHFFFAOYSA-N
Molecular Formula C14H14O2S2
11

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
12

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
13

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
14

S-Methyl methanethiolsulfonate, 97%

CAS: 2949-92-0 Molecular Formula: C2H6O2S2 Molecular Weight (g/mol): 126.19 MDL Number: MFCD00007565 InChI Key: XYONNSVDNIRXKZ-UHFFFAOYSA-N Synonym: s-methyl methanethiosulfonate,methyl methanethiolsulfonate,methyl methanethiosulfonate,s-methyl methanesulfonothioate,methanesulfonothioic acid, s-methyl ester,methyl methanesulfonothioate,s-methyl methanethiolsulfonate,methanethiosulfonic acid s-methyl ester,s-methyl methanethiosulphonate,methanesulfonylsulfanyl methane PubChem CID: 18064 ChEBI: CHEBI:74357 IUPAC Name: methylsulfonylsulfanylmethane SMILES: CSS(=O)(=O)C

PubChem CID 18064
CAS 2949-92-0
Molecular Weight (g/mol) 126.19
ChEBI CHEBI:74357
MDL Number MFCD00007565
SMILES CSS(=O)(=O)C
Synonym s-methyl methanethiosulfonate,methyl methanethiolsulfonate,methyl methanethiosulfonate,s-methyl methanesulfonothioate,methanesulfonothioic acid, s-methyl ester,methyl methanesulfonothioate,s-methyl methanethiolsulfonate,methanethiosulfonic acid s-methyl ester,s-methyl methanethiosulphonate,methanesulfonylsulfanyl methane
IUPAC Name methylsulfonylsulfanylmethane
InChI Key XYONNSVDNIRXKZ-UHFFFAOYSA-N
Molecular Formula C2H6O2S2
15

N,N'-Bis(acryloyl)cystamine, Electrophoresis Reagent, 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