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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Isothiocyanates (52)
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1 – 15 of 57 results
1

Cyclopropylmethyleisothiocyanate, 97%, Thermo Scientific™

CAS: 6068-90-2 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00052446 InChI Key: YRJONJBJAYHHQB-UHFFFAOYSA-N Synonym: cyclopropylmethyl isothiocyanate,isothiocyanatomethyl cyclopropane,cyclopropylmethylisothiocyanate,cyclopropane, isothiocyanatomethyl,cyclopropylmethanisothiocyanate PubChem CID: 2795403 IUPAC Name: isothiocyanatomethylcyclopropane SMILES: C1CC1CN=C=S

PubChem CID 2795403
CAS 6068-90-2
Molecular Weight (g/mol) 113.178
MDL Number MFCD00052446
SMILES C1CC1CN=C=S
Synonym cyclopropylmethyl isothiocyanate,isothiocyanatomethyl cyclopropane,cyclopropylmethylisothiocyanate,cyclopropane, isothiocyanatomethyl,cyclopropylmethanisothiocyanate
IUPAC Name isothiocyanatomethylcyclopropane
InChI Key YRJONJBJAYHHQB-UHFFFAOYSA-N
Molecular Formula C5H7NS
2

Phenethyleisothiocyanate, 97%, Thermo Scientific™

CAS: 2257-09-2 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N Synonym: 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate PubChem CID: 16741 ChEBI: CHEBI:351346 IUPAC Name: 2-isothiocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=C=S

PubChem CID 16741
CAS 2257-09-2
Molecular Weight (g/mol) 163.24
ChEBI CHEBI:351346
MDL Number MFCD00004821
SMILES C1=CC=C(C=C1)CCN=C=S
Synonym 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate
IUPAC Name 2-isothiocyanatoethylbenzene
InChI Key IZJDOKYDEWTZSO-UHFFFAOYSA-N
Molecular Formula C9H9NS
3

Methyle2-isothiocyanatobenzoate, 97%, Thermo Scientific™

CAS: 16024-82-1 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041062 InChI Key: UNXVHBOJSCWVCD-UHFFFAOYSA-N Synonym: 2-isothiocyanato-benzoic acid methyl ester,2-methoxycarbonylphenyl isothiocyanate,2-methoxycarbonyl phenyl isothiocyanate,benzoic acid,2-isothiocyanato-, methyl ester,benzoic acid, 2-isothiocyanato-, methyl ester,acmc-209dkr,methyl2-isothiocyanatobenzoate,methyl 2-isothiocyanato benzoate,methyl 2-isothiocyanatobenzenecarboxylate,2-isothiocyanatobenzoic acid methyl ester PubChem CID: 85243 IUPAC Name: methyl 2-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=CC=C1N=C=S

PubChem CID 85243
CAS 16024-82-1
Molecular Weight (g/mol) 193.22
MDL Number MFCD00041062
SMILES COC(=O)C1=CC=CC=C1N=C=S
Synonym 2-isothiocyanato-benzoic acid methyl ester,2-methoxycarbonylphenyl isothiocyanate,2-methoxycarbonyl phenyl isothiocyanate,benzoic acid,2-isothiocyanato-, methyl ester,benzoic acid, 2-isothiocyanato-, methyl ester,acmc-209dkr,methyl2-isothiocyanatobenzoate,methyl 2-isothiocyanato benzoate,methyl 2-isothiocyanatobenzenecarboxylate,2-isothiocyanatobenzoic acid methyl ester
IUPAC Name methyl 2-isothiocyanatobenzoate
InChI Key UNXVHBOJSCWVCD-UHFFFAOYSA-N
Molecular Formula C9H7NO2S
4

Propyl isothiocyanate, 97%, Thermo Scientific™

CAS: 628-30-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00004823 InChI Key: KKASGUHLXWAKEZ-UHFFFAOYSA-N Synonym: propyl isothiocyanate,propylisothiocyanate,propane, 1-isothiocyanato,n-propyl isothiocyanate,isothiocyanic acid propyl ester,isothiocyanic acid, propyl ester,isothiocyanic acid n-propyl ester,1-propyl isothiocyanate,propanisothiocyanate,1-isothiocyanatopropan PubChem CID: 69403 IUPAC Name: 1-isothiocyanatopropane SMILES: CCCN=C=S

PubChem CID 69403
CAS 628-30-8
Molecular Weight (g/mol) 101.167
MDL Number MFCD00004823
SMILES CCCN=C=S
Synonym propyl isothiocyanate,propylisothiocyanate,propane, 1-isothiocyanato,n-propyl isothiocyanate,isothiocyanic acid propyl ester,isothiocyanic acid, propyl ester,isothiocyanic acid n-propyl ester,1-propyl isothiocyanate,propanisothiocyanate,1-isothiocyanatopropan
IUPAC Name 1-isothiocyanatopropane
InChI Key KKASGUHLXWAKEZ-UHFFFAOYSA-N
Molecular Formula C4H7NS
5

2-Thiomorpholinoisonicotinaldehyde, 97%, Thermo Scientific™

CAS: 898289-24-2 Molecular Formula: C10H12N2OS Molecular Weight (g/mol): 208.28 MDL Number: MFCD09702361 InChI Key: XESFZSHCANCGBY-UHFFFAOYSA-N Synonym: 2-thiomorpholinoisonicotinaldehyde,2-thiomorpholin-4-yl pyridine-4-carbaldehyde,2-thiomorpholin-4-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-4-thiomorpholinyl,2-thiomorpholin-4-yl isonicotinaldehyde,2-1,4-thiazaperhydroin-4-yl pyridine-4-carbaldehyde PubChem CID: 24229507 IUPAC Name: 2-thiomorpholin-4-ylpyridine-4-carbaldehyde SMILES: O=CC1=CC(=NC=C1)N1CCSCC1

PubChem CID 24229507
CAS 898289-24-2
Molecular Weight (g/mol) 208.28
MDL Number MFCD09702361
SMILES O=CC1=CC(=NC=C1)N1CCSCC1
Synonym 2-thiomorpholinoisonicotinaldehyde,2-thiomorpholin-4-yl pyridine-4-carbaldehyde,2-thiomorpholin-4-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-4-thiomorpholinyl,2-thiomorpholin-4-yl isonicotinaldehyde,2-1,4-thiazaperhydroin-4-yl pyridine-4-carbaldehyde
IUPAC Name 2-thiomorpholin-4-ylpyridine-4-carbaldehyde
InChI Key XESFZSHCANCGBY-UHFFFAOYSA-N
Molecular Formula C10H12N2OS
6

Cyclopropyl isothiocyanate, 97%, Thermo Scientific™

CAS: 56601-42-4 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00040874 InChI Key: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonym: cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato PubChem CID: 92463 IUPAC Name: isothiocyanatocyclopropane SMILES: S=C=NC1CC1

PubChem CID 92463
CAS 56601-42-4
Molecular Weight (g/mol) 99.15
MDL Number MFCD00040874
SMILES S=C=NC1CC1
Synonym cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato
IUPAC Name isothiocyanatocyclopropane
InChI Key JGFBQFKZKSSODQ-UHFFFAOYSA-N
Molecular Formula C4H5NS
7

2,2-Diethoxyethanethioamide, 97%, Thermo Scientific™

CAS: 73956-15-7 Molecular Formula: C6H13NO2S Molecular Weight (g/mol): 163.235 MDL Number: MFCD06658986 InChI Key: MQSDGAKLSVITHP-UHFFFAOYSA-N PubChem CID: 2794734 IUPAC Name: 2,2-diethoxyethanethioamide SMILES: CCOC(C(=S)N)OCC

PubChem CID 2794734
CAS 73956-15-7
Molecular Weight (g/mol) 163.235
MDL Number MFCD06658986
SMILES CCOC(C(=S)N)OCC
IUPAC Name 2,2-diethoxyethanethioamide
InChI Key MQSDGAKLSVITHP-UHFFFAOYSA-N
Molecular Formula C6H13NO2S
8

2-(Methylthio)ethylamine, Thermo Scientific™

CAS: 18542-42-2 Molecular Formula: C3H9NS Molecular Weight (g/mol): 91.172 MDL Number: MFCD00014825 InChI Key: CYWGSFFHHMQKET-UHFFFAOYSA-N Synonym: 2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine PubChem CID: 87697 IUPAC Name: 2-methylsulfanylethanamine SMILES: CSCCN

PubChem CID 87697
CAS 18542-42-2
Molecular Weight (g/mol) 91.172
MDL Number MFCD00014825
SMILES CSCCN
Synonym 2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine
IUPAC Name 2-methylsulfanylethanamine
InChI Key CYWGSFFHHMQKET-UHFFFAOYSA-N
Molecular Formula C3H9NS
9

2,5-dimethoxyphenyl isothiocyanate, Thermo Scientific™

CAS: 40532-06-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00041059 InChI Key: RADQLZMDTYWZKA-UHFFFAOYSA-N Synonym: 2,5-dimethoxyphenyl isothiocyanate,2,5-dimethoxyphenylisothiocyanate,2-isothiocyanato-1,4-dimethoxy-benzene,benzene, 2-isothiocyanato-1,4-dimethoxy,2,5-dimethoxybenzenisothiocyanate,acmc-1amrr,# PubChem CID: 142466 IUPAC Name: 2-isothiocyanato-1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C(=C1)N=C=S

PubChem CID 142466
CAS 40532-06-7
Molecular Weight (g/mol) 195.24
MDL Number MFCD00041059
SMILES COC1=CC=C(OC)C(=C1)N=C=S
Synonym 2,5-dimethoxyphenyl isothiocyanate,2,5-dimethoxyphenylisothiocyanate,2-isothiocyanato-1,4-dimethoxy-benzene,benzene, 2-isothiocyanato-1,4-dimethoxy,2,5-dimethoxybenzenisothiocyanate,acmc-1amrr,#
IUPAC Name 2-isothiocyanato-1,4-dimethoxybenzene
InChI Key RADQLZMDTYWZKA-UHFFFAOYSA-N
Molecular Formula C9H9NO2S
10

Pentyl isothiocyanate, 95+%, Thermo Scientific™

CAS: 629-12-9 Molecular Formula: C6H11NS Molecular Weight (g/mol): 129.221 InChI Key: SGHJUJBYMSVAJY-UHFFFAOYSA-N Synonym: pentyl isothiocyanate,n-amyl isothiocyanate,1-pentyl isothiocyanate,amyl isothiocyanate,n-pentyl isothiocyanate,pentylisothiocyanate,unii-kl6u8nl15r,n-amylisothiocyanate,1-isothiocyanato-pentane,pentane,1-isothiocyanato PubChem CID: 69415 IUPAC Name: 1-isothiocyanatopentane SMILES: CCCCCN=C=S

PubChem CID 69415
CAS 629-12-9
Molecular Weight (g/mol) 129.221
SMILES CCCCCN=C=S
Synonym pentyl isothiocyanate,n-amyl isothiocyanate,1-pentyl isothiocyanate,amyl isothiocyanate,n-pentyl isothiocyanate,pentylisothiocyanate,unii-kl6u8nl15r,n-amylisothiocyanate,1-isothiocyanato-pentane,pentane,1-isothiocyanato
IUPAC Name 1-isothiocyanatopentane
InChI Key SGHJUJBYMSVAJY-UHFFFAOYSA-N
Molecular Formula C6H11NS
11

2,5-dichlorophenyl isothiocyanate, Thermo Scientific™

CAS: 3386-42-3 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 InChI Key: JHTPBGFVWWSHDL-UHFFFAOYSA-N Synonym: 2,5-dichlorophenyl isothiocyanate,2,5-dichlorophenylisothiocyanate,acmc-1cjox,2,5-dichlorobenzenisothiocyanate,#,benzene,1,4-dichloro-2-isothiocyanato,benzene, 1,4-dichloro-2-isothiocyanato,1,4-bis chloranyl-2-isothiocyanato-benzene PubChem CID: 137915 IUPAC Name: 1,4-dichloro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)N=C=S)Cl

PubChem CID 137915
CAS 3386-42-3
Molecular Weight (g/mol) 204.068
SMILES C1=CC(=C(C=C1Cl)N=C=S)Cl
Synonym 2,5-dichlorophenyl isothiocyanate,2,5-dichlorophenylisothiocyanate,acmc-1cjox,2,5-dichlorobenzenisothiocyanate,#,benzene,1,4-dichloro-2-isothiocyanato,benzene, 1,4-dichloro-2-isothiocyanato,1,4-bis chloranyl-2-isothiocyanato-benzene
IUPAC Name 1,4-dichloro-2-isothiocyanatobenzene
InChI Key JHTPBGFVWWSHDL-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NS
12

4-Ethoxyphenyl isothiocyanate 97%, Thermo Scientific™

CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S

PubChem CID 77006
CAS 3460-49-9
Molecular Weight (g/mol) 179.237
SMILES CCOC1=CC=C(C=C1)N=C=S
Synonym 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate
IUPAC Name 1-ethoxy-4-isothiocyanatobenzene
InChI Key REEKOMRZYJXXNR-UHFFFAOYSA-N
Molecular Formula C9H9NOS
13

sec-Butyl isothiocyanate, 97%, Thermo Scientific™

CAS: 4426-79-3 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00041108 InChI Key: TUFJIDJGIQOYFY-UHFFFAOYNA-N Synonym: sec-butyl isothiocyanate,2-butyl isothiocyanate,butane, 2-isothiocyanato,isothiocyanic acid sec-butyl ester,isothiocyanic acid, sec-butyl ester,butan-2-isothiocyanate,2-butylisothiocyanate,s-butyl isothiocyanate,2-isothiocyanato-butane PubChem CID: 78151 IUPAC Name: 2-isothiocyanatobutane SMILES: CCC(C)N=C=S

PubChem CID 78151
CAS 4426-79-3
Molecular Weight (g/mol) 115.19
MDL Number MFCD00041108
SMILES CCC(C)N=C=S
Synonym sec-butyl isothiocyanate,2-butyl isothiocyanate,butane, 2-isothiocyanato,isothiocyanic acid sec-butyl ester,isothiocyanic acid, sec-butyl ester,butan-2-isothiocyanate,2-butylisothiocyanate,s-butyl isothiocyanate,2-isothiocyanato-butane
IUPAC Name 2-isothiocyanatobutane
InChI Key TUFJIDJGIQOYFY-UHFFFAOYNA-N
Molecular Formula C5H9NS
14

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
15

Methyl aminomethanimidothioate hydroiodide, 95%, Thermo Scientific™

CAS: 4338-95-8 Molecular Formula: C2H7IN2S Molecular Weight (g/mol): 218.06 MDL Number: MFCD00035598 InChI Key: LFXAECSQJSRSTP-UHFFFAOYSA-N Synonym: methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide PubChem CID: 197812 SMILES: [H+].[I-].CSC(N)=N

PubChem CID 197812
CAS 4338-95-8
Molecular Weight (g/mol) 218.06
MDL Number MFCD00035598
SMILES [H+].[I-].CSC(N)=N
Synonym methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide
InChI Key LFXAECSQJSRSTP-UHFFFAOYSA-N
Molecular Formula C2H7IN2S