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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Allyl sulfur compounds (2)
Isothiocyanates (42)
Organic disulfides (6)
Sulfoxides (16)
Thiocarbonyl compounds (7)
Thioethers (21)
Thiols (2)
Thioureas (6)

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Phenyl isothiocyanate, 98%

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1

PubChem CID 7673
CAS 103-72-0
Molecular Weight (g/mol) 135.18
ChEBI CHEBI:85103
MDL Number MFCD00004798
SMILES S=C=NC1=CC=CC=C1
Synonym phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate
IUPAC Name isothiocyanatobenzene
InChI Key QKFJKGMPGYROCL-UHFFFAOYSA-N
Molecular Formula C7H5NS
2
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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
3

Phenyl isothiocyanate, 97%

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1

PubChem CID 7673
CAS 103-72-0
Molecular Weight (g/mol) 135.18
ChEBI CHEBI:85103
MDL Number MFCD00004798
SMILES S=C=NC1=CC=CC=C1
Synonym phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate
IUPAC Name isothiocyanatobenzene
InChI Key QKFJKGMPGYROCL-UHFFFAOYSA-N
Molecular Formula C7H5NS
4

Phenyl sulfide, 99%

CAS: 139-66-2 Molecular Formula: C12H10S Molecular Weight (g/mol): 186.27 MDL Number: MFCD00003064 InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N Synonym: diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl PubChem CID: 8766 ChEBI: CHEBI:38959 IUPAC Name: phenylsulfanylbenzene SMILES: S(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 8766
CAS 139-66-2
Molecular Weight (g/mol) 186.27
ChEBI CHEBI:38959
MDL Number MFCD00003064
SMILES S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name phenylsulfanylbenzene
InChI Key LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula C12H10S
5

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
6
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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
7

Methyl phenyl sulfoxide, 98+%

CAS: 1193-82-4 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 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) 140.2
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
8

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
9

4-(Trifluoromethoxy)phenyl isothiocyanate, 97%

CAS: 64285-95-6 Molecular Formula: C8H4F3NOS Molecular Weight (g/mol): 219.181 MDL Number: MFCD00042412 InChI Key: JKSZUQPHKOPVHF-UHFFFAOYSA-N PubChem CID: 2777338 IUPAC Name: 1-isothiocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=S)OC(F)(F)F

PubChem CID 2777338
CAS 64285-95-6
Molecular Weight (g/mol) 219.181
MDL Number MFCD00042412
SMILES C1=CC(=CC=C1N=C=S)OC(F)(F)F
IUPAC Name 1-isothiocyanato-4-(trifluoromethoxy)benzene
InChI Key JKSZUQPHKOPVHF-UHFFFAOYSA-N
Molecular Formula C8H4F3NOS
10

4-(Ethoxycarbonyl)phenyl isothiocyanate, 97%

CAS: 1205-06-7 Molecular Formula: C10H9NO2S Molecular Weight (g/mol): 207.247 MDL Number: MFCD00022058 InChI Key: MLOJHUCMCKBDLV-UHFFFAOYSA-N Synonym: 4-ethoxycarbonylphenyl isothiocyanate,4-ethoxycarbonylphenylisothiocyanate,benzoic acid, 4-isothiocyanato-, ethyl ester,4-ethoxycarbonyl phenyl isothiocyanate,ethyl p-isothiocyanatobenzoate,4-ethoxycarbonylphenyl-isothiocyanate,benzoic acid,4-isothiocyanato-, ethyl ester,acmc-1brcn,p-carbethoxyphenylisothiocyanate,# PubChem CID: 71003 IUPAC Name: ethyl 4-isothiocyanatobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)N=C=S

PubChem CID 71003
CAS 1205-06-7
Molecular Weight (g/mol) 207.247
MDL Number MFCD00022058
SMILES CCOC(=O)C1=CC=C(C=C1)N=C=S
Synonym 4-ethoxycarbonylphenyl isothiocyanate,4-ethoxycarbonylphenylisothiocyanate,benzoic acid, 4-isothiocyanato-, ethyl ester,4-ethoxycarbonyl phenyl isothiocyanate,ethyl p-isothiocyanatobenzoate,4-ethoxycarbonylphenyl-isothiocyanate,benzoic acid,4-isothiocyanato-, ethyl ester,acmc-1brcn,p-carbethoxyphenylisothiocyanate,#
IUPAC Name ethyl 4-isothiocyanatobenzoate
InChI Key MLOJHUCMCKBDLV-UHFFFAOYSA-N
Molecular Formula C10H9NO2S
11

4-(Methoxycarbonyl)phenyl isothiocyanate, 98+%

CAS: 3662-78-0 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041099 InChI Key: WIZODHILGBTPPA-UHFFFAOYSA-N Synonym: 4-methoxycarbonylphenyl isothiocyanate,4-methoxycarbonylphenylisothiocyanate,4-isothiocyanatobenzoic acid methyl ester,benzoic acid, 4-isothiocyanato-, methyl ester,acmc-20amez,#,4-methoxycarbonyl phenylisothiocyanate,4-methoxycarbonyl phenyl isothiocyanate PubChem CID: 138002 IUPAC Name: methyl 4-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N=C=S

PubChem CID 138002
CAS 3662-78-0
Molecular Weight (g/mol) 193.22
MDL Number MFCD00041099
SMILES COC(=O)C1=CC=C(C=C1)N=C=S
Synonym 4-methoxycarbonylphenyl isothiocyanate,4-methoxycarbonylphenylisothiocyanate,4-isothiocyanatobenzoic acid methyl ester,benzoic acid, 4-isothiocyanato-, methyl ester,acmc-20amez,#,4-methoxycarbonyl phenylisothiocyanate,4-methoxycarbonyl phenyl isothiocyanate
IUPAC Name methyl 4-isothiocyanatobenzoate
InChI Key WIZODHILGBTPPA-UHFFFAOYSA-N
Molecular Formula C9H7NO2S
12

Allyl phenyl sulfide, 97%, Thermo Scientific Chemicals

CAS: 5296-64-0 Molecular Formula: C9H10S Molecular Weight (g/mol): 150.24 MDL Number: MFCD00014957 InChI Key: QGNRLAFFKKBSIM-UHFFFAOYSA-N Synonym: allyl phenyl sulfide,allylthio benzene,allyl phenyl sulfane,benzene, 2-propenylthio,allylphenyl sulfide,phenyl allyl sulfide,allylphenylthioether,allyl phenyl ;sulfane,sulfide, allyl phenyl PubChem CID: 79180 IUPAC Name: prop-2-enylsulfanylbenzene SMILES: C=CCSC1=CC=CC=C1

PubChem CID 79180
CAS 5296-64-0
Molecular Weight (g/mol) 150.24
MDL Number MFCD00014957
SMILES C=CCSC1=CC=CC=C1
Synonym allyl phenyl sulfide,allylthio benzene,allyl phenyl sulfane,benzene, 2-propenylthio,allylphenyl sulfide,phenyl allyl sulfide,allylphenylthioether,allyl phenyl ;sulfane,sulfide, allyl phenyl
IUPAC Name prop-2-enylsulfanylbenzene
InChI Key QGNRLAFFKKBSIM-UHFFFAOYSA-N
Molecular Formula C9H10S
13

2-(trifluoromethoxy)phenyl isothiocyanate, Thermo Scientific™

CAS: 175205-33-1 Molecular Formula: C8H4F3NOS Molecular Weight (g/mol): 219.18 MDL Number: MFCD00220860 InChI Key: ZFEJYPIWOGCCFS-UHFFFAOYSA-N PubChem CID: 2777336 IUPAC Name: 1-isothiocyanato-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1N=C=S

PubChem CID 2777336
CAS 175205-33-1
Molecular Weight (g/mol) 219.18
MDL Number MFCD00220860
SMILES FC(F)(F)OC1=CC=CC=C1N=C=S
IUPAC Name 1-isothiocyanato-2-(trifluoromethoxy)benzene
InChI Key ZFEJYPIWOGCCFS-UHFFFAOYSA-N
Molecular Formula C8H4F3NOS
14

4-(Trifluoromethoxy)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 64285-95-6 Molecular Formula: C8H4F3NOS Molecular Weight (g/mol): 219.181 MDL Number: MFCD00042412 InChI Key: JKSZUQPHKOPVHF-UHFFFAOYSA-N PubChem CID: 2777338 IUPAC Name: 1-isothiocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=S)OC(F)(F)F

PubChem CID 2777338
CAS 64285-95-6
Molecular Weight (g/mol) 219.181
MDL Number MFCD00042412
SMILES C1=CC(=CC=C1N=C=S)OC(F)(F)F
IUPAC Name 1-isothiocyanato-4-(trifluoromethoxy)benzene
InChI Key JKSZUQPHKOPVHF-UHFFFAOYSA-N
Molecular Formula C8H4F3NOS
15

4-(Benzyloxy)phenyl isothiocyanate 97%, Thermo Scientific™

CAS: 139768-71-1 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 InChI Key: OQXRBXAFSXVCCO-UHFFFAOYSA-N Synonym: 4-benzyloxyphenyl isothiocyanate,4-benzyloxyphenylisothiocyanate,1-benzyloxy-4-isothiocyanatobenzene,4-phenylmethoxy benzenisothiocyanate,acmc-20amoj,4-benzyloxyisothiocyanate,4-phenylmethoxyphenylisothiocyanate,4-benzyloxy phenyl isothiocyanate,4-phenylmethoxy phenyl isothiocyanate,1-isothiocyanato-4-phenylmethoxy-benzene PubChem CID: 2735503 IUPAC Name: 1-isothiocyanato-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S

PubChem CID 2735503
CAS 139768-71-1
Molecular Weight (g/mol) 241.308
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S
Synonym 4-benzyloxyphenyl isothiocyanate,4-benzyloxyphenylisothiocyanate,1-benzyloxy-4-isothiocyanatobenzene,4-phenylmethoxy benzenisothiocyanate,acmc-20amoj,4-benzyloxyisothiocyanate,4-phenylmethoxyphenylisothiocyanate,4-benzyloxy phenyl isothiocyanate,4-phenylmethoxy phenyl isothiocyanate,1-isothiocyanato-4-phenylmethoxy-benzene
IUPAC Name 1-isothiocyanato-4-phenylmethoxybenzene
InChI Key OQXRBXAFSXVCCO-UHFFFAOYSA-N
Molecular Formula C14H11NOS