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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Thioethers (368)
Isothiocyanates (157)
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Organic disulfides (46)
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Thiocyanates (26)
Allyl sulfur compounds (23)
Thiohemiaminal derivatives (19)
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1
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3-Benzyloxyphenyl isothiocyanate, 97%

CAS: 206559-36-6 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.31 MDL Number: MFCD00060374 InChI Key: QJLFNDXMZQJMDL-UHFFFAOYSA-N Synonym: 3-benzyloxyphenyl isothiocyanate,3-benzyloxyphenylisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene,acmc-20an9f,3-phenylmethoxy benzenisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene #,1-isothiocyanato-3-phenylmethoxy-benzene,benzene, 1-isothiocyanato-3-phenylmethoxy,benzene, 1-isothiocyanato-3-phenylmethoxy-9ci PubChem CID: 561446 IUPAC Name: 1-isothiocyanato-3-phenylmethoxybenzene SMILES: S=C=NC1=CC(OCC2=CC=CC=C2)=CC=C1

PubChem CID 561446
CAS 206559-36-6
Molecular Weight (g/mol) 241.31
MDL Number MFCD00060374
SMILES S=C=NC1=CC(OCC2=CC=CC=C2)=CC=C1
Synonym 3-benzyloxyphenyl isothiocyanate,3-benzyloxyphenylisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene,acmc-20an9f,3-phenylmethoxy benzenisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene #,1-isothiocyanato-3-phenylmethoxy-benzene,benzene, 1-isothiocyanato-3-phenylmethoxy,benzene, 1-isothiocyanato-3-phenylmethoxy-9ci
IUPAC Name 1-isothiocyanato-3-phenylmethoxybenzene
InChI Key QJLFNDXMZQJMDL-UHFFFAOYSA-N
Molecular Formula C14H11NOS
2

Sulbutiamine 98.0+%, TCI America™

CAS: 3286-46-2 Molecular Formula: C32H46N8O6S2 Molecular Weight (g/mol): 702.89 MDL Number: MFCD01726427 InChI Key: CKHJPWQVLKHBIH-KKTFQPMKSA-N Synonym: Bisibuthiamine, O-Isobutyroylthiamine Disulfide PubChem CID: 24739911 IUPAC Name: [(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)C(C)C)C

PubChem CID 24739911
CAS 3286-46-2
Molecular Weight (g/mol) 702.89
MDL Number MFCD01726427
SMILES CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)C(C)C)C
Synonym Bisibuthiamine, O-Isobutyroylthiamine Disulfide
IUPAC Name [(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate
InChI Key CKHJPWQVLKHBIH-KKTFQPMKSA-N
Molecular Formula C32H46N8O6S2
3
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Allylthiourea, 98%

CAS: 109-57-9 MDL Number: MFCD00004940 InChI Key: HTKFORQRBXIQHD-UHFFFAOYSA-N Synonym: allylthiourea,n-allylthiourea,thiosinamine,1-allyl-2-thiourea,rhodalline,thiosinamin,tiosinamine,1-allylthiourea,aminosin,rhodallin PubChem CID: 1549517 ChEBI: CHEBI:74079 IUPAC Name: prop-2-enylthiourea SMILES: C=CCNC(=S)N

PubChem CID 1549517
CAS 109-57-9
ChEBI CHEBI:74079
MDL Number MFCD00004940
SMILES C=CCNC(=S)N
Synonym allylthiourea,n-allylthiourea,thiosinamine,1-allyl-2-thiourea,rhodalline,thiosinamin,tiosinamine,1-allylthiourea,aminosin,rhodallin
IUPAC Name prop-2-enylthiourea
InChI Key HTKFORQRBXIQHD-UHFFFAOYSA-N
4

n-Butyl sulfide, 99%, pure

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 MDL Number: MFCD00009468 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide PubChem CID: 11002 SMILES: CCCCSCCCC

PubChem CID 11002
CAS 544-40-1
Molecular Weight (g/mol) 146.29
MDL Number MFCD00009468
SMILES CCCCSCCCC
Synonym dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
InChI Key HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula C8H18S
5

Sulfapyridine 98.0+%, TCI America™

CAS: 144-83-2 Molecular Formula: C11H11N3O2S Molecular Weight (g/mol): 249.288 MDL Number: MFCD00038036 InChI Key: GECHUMIMRBOMGK-UHFFFAOYSA-N Synonym: sulfapyridine,sulphapyridine,2-sulfapyridine,sulfidin,sulfidine,2-sulfanilamidopyridine,streptosilpyridine,coccoclase,eubasinum,piridazol PubChem CID: 5336 ChEBI: CHEBI:132842 IUPAC Name: 4-amino-N-pyridin-2-ylbenzenesulfonamide SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5336
CAS 144-83-2
Molecular Weight (g/mol) 249.288
ChEBI CHEBI:132842
MDL Number MFCD00038036
SMILES C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfapyridine,sulphapyridine,2-sulfapyridine,sulfidin,sulfidine,2-sulfanilamidopyridine,streptosilpyridine,coccoclase,eubasinum,piridazol
IUPAC Name 4-amino-N-pyridin-2-ylbenzenesulfonamide
InChI Key GECHUMIMRBOMGK-UHFFFAOYSA-N
Molecular Formula C11H11N3O2S
6
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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
7
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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
8
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2,2'-Diaminodiphenyl disulfide, 97%

CAS: 1141-88-4 Molecular Formula: C12H12N2S2 Molecular Weight (g/mol): 248.36 MDL Number: MFCD00007703 InChI Key: YYYOQURZQWIILK-UHFFFAOYSA-N Synonym: 2,2'-dithiodianiline,benzenamine, 2,2'-dithiobis,intramine,2,2'-disulfanediyldianiline,2-aminophenyl disulfide,2,2'-diaminodiphenyldisulfide,2,2'-diaminodiphenyl disulfide,2-2-aminophenyl disulfanyl aniline,aniline, 2,2'-dithiodi,bis o-aminophenyl disulfide PubChem CID: 14358 IUPAC Name: 2-[(2-aminophenyl)disulfanyl]aniline SMILES: NC1=CC=CC=C1SSC1=CC=CC=C1N

PubChem CID 14358
CAS 1141-88-4
Molecular Weight (g/mol) 248.36
MDL Number MFCD00007703
SMILES NC1=CC=CC=C1SSC1=CC=CC=C1N
Synonym 2,2'-dithiodianiline,benzenamine, 2,2'-dithiobis,intramine,2,2'-disulfanediyldianiline,2-aminophenyl disulfide,2,2'-diaminodiphenyldisulfide,2,2'-diaminodiphenyl disulfide,2-2-aminophenyl disulfanyl aniline,aniline, 2,2'-dithiodi,bis o-aminophenyl disulfide
IUPAC Name 2-[(2-aminophenyl)disulfanyl]aniline
InChI Key YYYOQURZQWIILK-UHFFFAOYSA-N
Molecular Formula C12H12N2S2
9
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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
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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
11
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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
12
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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

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
13

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

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
14

Azathioprine

CAS: 446-86-6 Molecular Formula: C9H7N7O2S Molecular Weight (g/mol): 277.262 MDL Number: MFCD00069203 InChI Key: LMEKQMALGUDUQG-UHFFFAOYSA-N Synonym: azathioprine,azothioprine,imuran,azathioprin,azatioprin,azamun,azanin,imurel,ccucol,imurek PubChem CID: 2265 ChEBI: CHEBI:2948 IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

PubChem CID 2265
CAS 446-86-6
Molecular Weight (g/mol) 277.262
ChEBI CHEBI:2948
MDL Number MFCD00069203
SMILES CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Synonym azathioprine,azothioprine,imuran,azathioprin,azatioprin,azamun,azanin,imurel,ccucol,imurek
IUPAC Name 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
InChI Key LMEKQMALGUDUQG-UHFFFAOYSA-N
Molecular Formula C9H7N7O2S
15
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Bis(methylthio)methane, 99%

CAS: 1618-26-4 Molecular Formula: C3H8S2 Molecular Weight (g/mol): 108.217 MDL Number: MFCD00008564 InChI Key: LOCDPORVFVOGCR-UHFFFAOYSA-N Synonym: bis methylthio methane,bis methylsulfanyl methane,2,4-dithiapentane,methane, bis methylthio,bis methylmercapto methane,formaldehyde dimethyl mercaptal,methylenebis methyl sulfide,thioformaldehyde dimethylacetal,ch3sch2sch3 PubChem CID: 15380 IUPAC Name: bis(methylsulfanyl)methane SMILES: CSCSC

PubChem CID 15380
CAS 1618-26-4
Molecular Weight (g/mol) 108.217
MDL Number MFCD00008564
SMILES CSCSC
Synonym bis methylthio methane,bis methylsulfanyl methane,2,4-dithiapentane,methane, bis methylthio,bis methylmercapto methane,formaldehyde dimethyl mercaptal,methylenebis methyl sulfide,thioformaldehyde dimethylacetal,ch3sch2sch3
IUPAC Name bis(methylsulfanyl)methane
InChI Key LOCDPORVFVOGCR-UHFFFAOYSA-N
Molecular Formula C3H8S2