Isothiocyanates

Alfa Aesar™ Allyl isothiocyanate, 94%, stab.

CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate, mustard oil, redskin, allylsenevol, allylsenfoel, allyl mustard oil, oleum sinapis, oil of mustard, allylsevenolum, senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

Phenyl isothiocyanate, 98%, ACROS Organics™

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.19 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: C1=CC=C(C=C1)N=C=S

o-Tolyl isothiocyanate, 99%, ACROS Organics™

CAS: 614-69-7 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.22 MDL Number: MFCD00004802 InChI Key: JYKYYPPZLPVIBY-UHFFFAOYSA-N Synonym: 2-methylphenyl isothiocyanate, o-tolyl isothiocyanate, 2-tolyl isothiocyanate, o-tolylisothiocyanate, benzene, 1-isothiocyanato-2-methyl, 1-isothiocyanato-2-methyl-benzene, 2-methylphenylisothiocyanate, isothiocyanic acid o-tolyl ester, isothiocyanic acid, o-tolyl ester, 2-methylbenzenisothiocyanate PubChem CID: 69195 IUPAC Name: 1-isothiocyanato-2-methylbenzene SMILES: CC1=CC=CC=C1N=C=S

4-(Benzyloxy)phenyl isothiocyanate 97%, Maybridge™

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

Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol, ACROS Organics™

CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate, mustard oil, redskin, allylsenevol, allylsenfoel, allyl mustard oil, oleum sinapis, oil of mustard, allylsevenolum, senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

Alfa Aesar™ 2,5-Dimethoxyphenyl isothiocyanate, 98%

CAS: 40532-06-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 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(C=C1)OC)N=C=S

2,5-dimethoxyphenyl isothiocyanate, Maybridge™

CAS: 40532-06-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 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(C=C1)OC)N=C=S

Phenylethyl isothiocyanate, 96%, ACROS Organics™

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

Propyl isothiocyanate, 97%, Maybridge™

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

Alfa Aesar™ 4-Benzyloxyphenyl isothiocyanate, 98%

CAS: 139768-71-1 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 MDL Number: MFCD00041095 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

Methyle3-isothiocyanatothiophene-2-carboxylate, 97%, Maybridge™

CAS: 81321-10-0 Molecular Formula: C7H5NO2S2 Molecular Weight (g/mol): 199.242 MDL Number: MFCD00052589 InChI Key: RKBLURUDWDTMOB-UHFFFAOYSA-N Synonym: methyl 3-isothiocyanato-2-thiophenecarboxylate, 3-isothiocyanato-2-thiophenecarboxylic acid methyl ester, 2-thiophenecarboxylicacid, 3-isothiocyanato-, methyl ester, methyl 3-isoisothiocyanatothiophene-2-carboxylate PubChem CID: 2777461 IUPAC Name: methyl 3-isothiocyanatothiophene-2-carboxylate SMILES: COC(=O)C1=C(C=CS1)N=C=S

Alfa Aesar™ Cyclohexyl isothiocyanate, 98%

CAS: 1122-82-3 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.232 MDL Number: MFCD00003841 InChI Key: MZSJGCPBOVTKHR-UHFFFAOYSA-N Synonym: cyclohexyl isothiocyanate, cyclohexane, isothiocyanato, isothiocyanocyclohexane, cyclohexyl-isothiocyanat, isothiocyanic acid, cyclohexyl ester, cyclohexylisothiocyanate, cyclohexyl isothiocyanate, isothiocyanato, cyclohexyl-isothiocyanat german, isothiocyanato-cyclohexane, isothiocyanic acid cyclohexyl ester PubChem CID: 14289 IUPAC Name: isothiocyanatocyclohexane SMILES: C1CCC(CC1)N=C=S

Alfa Aesar™ p-Tolyl isothiocyanate, 97%

CAS: 622-59-3 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004813 InChI Key: ABQKHKWXTUVKGF-UHFFFAOYSA-N Synonym: p-tolyl isothiocyanate, 4-methylphenyl isothiocyanate, 4-methylphenylisothiocyanate, p-tolylisothiocyanate, 4-tolylisothiocyanate, benzene, 1-isothiocyanato-4-methyl, 4-tolyl isothiocyanate, isothiocyanic acid, p-tolyl ester, 1-isothiocyanato-4-methyl-benzene, isothiocyanic acid, 4-tolyl ester PubChem CID: 12149 IUPAC Name: 1-isothiocyanato-4-methylbenzene SMILES: CC1=CC=C(C=C1)N=C=S

Alfa Aesar™ 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

Alfa Aesar™ 4-n-Butyl-2-methylphenyl isothiocyanate, 95%

CAS: 175205-37-5 Molecular Formula: C12H15NS Molecular Weight (g/mol): 205.319 MDL Number: MFCD00276966 InChI Key: BJMLHJJEHDPCKW-UHFFFAOYSA-N Synonym: 4-n-butyl-2-methylphenyl isothiocyanate, p-n-butyl-o-tolyl isothiocyanate, 4-butyl-2-methylbenzenisothiocyanate, 4-n-butyl-2-methylphenylisothiocyanate, benzene, 4-butyl-1-isothiocyanato-2-methyl-9ci PubChem CID: 7020482 IUPAC Name: 4-butyl-1-isothiocyanato-2-methylbenzene SMILES: CCCCC1=CC(=C(C=C1)N=C=S)C

Alfa Aesar™ 3,4-Dimethoxyphenyl isothiocyanate, 99%

CAS: 33904-04-0 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD00041075 InChI Key: LHPZZVZPOZPDDB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenyl isothiocyanate, 3,4-dimethoxyphenylisothiocyanate, 4-isothiocyanato-1,2-dimethoxy-benzene, isothiocyanic acid 3,4-dimethoxyphenyl ester, 3,4-dimethoxybenzenisothiocyanate, acmc-1aeuy, 3,4 dimethoxyphenylisothiocyanate, lhpzzvzpozpddb-uhfffaoysa, #, 3,4-dimethoxy phenyl isothiocyanate PubChem CID: 141856 IUPAC Name: 4-isothiocyanato-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)N=C=S)OC

Alfa Aesar™ 2,4-Dichlorophenyl isothiocyanate, 97%

CAS: 6590-96-1 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 MDL Number: MFCD00037827 InChI Key: WVBNZZHGECFCSH-UHFFFAOYSA-N Synonym: 2,4-dichlorophenyl isothiocyanate, 2,4-dichlorophenylisothiocyanate, benzene,2,4-dichloro-1-isothiocyanato, benzene, 2,4-dichloro-1-isothiocyanato, 2,4-dichlorobenzenisothiocyanate, acmc-1b3n1, tos-bb-1123, 2,4-dichloro-1-isothiocyanato-benzene, # PubChem CID: 81066 IUPAC Name: 2,4-dichloro-1-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)N=C=S

3,4-Dimethoxyphenyl isothiocyanate, 97%, Maybridge™

CAS: 33904-04-0 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD00041075 InChI Key: LHPZZVZPOZPDDB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenyl isothiocyanate, 3,4-dimethoxyphenylisothiocyanate, 4-isothiocyanato-1,2-dimethoxy-benzene, isothiocyanic acid 3,4-dimethoxyphenyl ester, 3,4-dimethoxybenzenisothiocyanate, acmc-1aeuy, 3,4 dimethoxyphenylisothiocyanate, lhpzzvzpozpddb-uhfffaoysa, #, 3,4-dimethoxy phenyl isothiocyanate PubChem CID: 141856 IUPAC Name: 4-isothiocyanato-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)N=C=S)OC

Alfa Aesar™ 3-Benzyloxyphenyl isothiocyanate, 97%

CAS: 206559-36-6 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 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: C1=CC=C(C=C1)COC2=CC=CC(=C2)N=C=S

Alfa Aesar™ Benzyl isothiocyanate, 98%

CAS: 622-78-6 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004819 InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N Synonym: benzyl isothiocyanate, isothiocyanatomethyl benzene, benzyl mustard oil, benzylisothiocyanate, benzylsenfoel, tromacaps, tromalyt, urogran, isothiocyanic acid, benzyl ester, benzyl-isothiocyanate PubChem CID: 2346 ChEBI: CHEBI:17484 IUPAC Name: isothiocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=S

Alfa Aesar™ 3,4-Dichlorophenyl isothiocyanate, 97%

CAS: 6590-94-9 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 MDL Number: MFCD00037828 InChI Key: OSBIEFWIIINTNJ-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl isothiocyanate, benzene, 1,2-dichloro-4-isothiocyanato, 3,4-dichlorophenylisothiocyanate, benzene, 1,2-dichloro-4-isothiocyanato-9ci, isothiocyanic acid, 3,4-dichlorophenyl ester, 1,2-dichloro-4-isothiocyanato-benzene, acmc-20anfc, 4-12-00-01271 beilstein handbook reference, 3,4-dichloro-1-isothiocyanato-benzene, # PubChem CID: 23065 IUPAC Name: 1,2-dichloro-4-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1N=C=S)Cl)Cl

Alfa Aesar™ 2-Chloro-4-nitrophenyl isothiocyanate, 97%

CAS: 23165-64-2 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 MDL Number: MFCD00041244 InChI Key: JSYNALWWKRNZDX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrophenyl isothiocyanate, 2-chloro-4-nitrophenylisothiocyanate, benzene,2-chloro-1-isothiocyanato-4-nitro, 2-chloro-4-nitrobenzenisothiocyanate, acmc-1cg9c, 2-chloranyl-1-isothiocyanato-4-nitro-benzene PubChem CID: 2757736 IUPAC Name: 2-chloro-1-isothiocyanato-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N=C=S

Alfa Aesar™ 1-Octyl isothiocyanate, 97%

CAS: 4430-45-9 Molecular Formula: C9H17NS Molecular Weight (g/mol): 171.302 MDL Number: MFCD00041139 InChI Key: YEZHGQZHWKJPCM-UHFFFAOYSA-N Synonym: octyl isothiocyanate, n-octyl isothiocyanate, octylisothiocyanate, 1-octyl isothiocyanate, octanisothiocyanate, 1-isothiocyanatooctan, octane, 1-isothiocyanato, isothiocyanic acid, octyl ester, n-octylisothiocyanate, acmc-1ajcy PubChem CID: 78161 IUPAC Name: 1-isothiocyanatooctane SMILES: CCCCCCCCN=C=S

Alfa Aesar™ Cyclohexylmethyl isothiocyanate, 97%

CAS: 52395-66-1 Molecular Formula: C8H13NS Molecular Weight (g/mol): 155.259 MDL Number: MFCD00040881 InChI Key: RYBJNWIQNLZNPE-UHFFFAOYSA-N Synonym: cyclohexanemethyl isothiocyanate, isothiocyanatomethyl cyclohexane, cyclohexylmethyl isothiocyanate, cyclohexylmethanisothiocyanate, cyclohexanemethylisothiocyanate, isothiocyanatomethyl cyclohexane # PubChem CID: 142928 IUPAC Name: isothiocyanatomethylcyclohexane SMILES: C1CCC(CC1)CN=C=S

Alfa Aesar™ 3-Phenylpropyl isothiocyanate, 98%

CAS: 2627-27-2 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00041134 InChI Key: GRUOGLPIAPZLHJ-UHFFFAOYSA-N Synonym: 3-phenylpropyl isothiocyanate, 3-isothiocyanatopropyl benzene, phenylpropyl isothiocyanate, ppitc, benzene, 3-isothiocyanatopropyl, unii-1s20ia5ggo, ccris 3147, 3phenylpropylisothiocyanate, 3-phenylpropylisothiocyanate, 3-phenylpropyl isothiocynate PubChem CID: 75815 IUPAC Name: 3-isothiocyanatopropylbenzene SMILES: C1=CC=C(C=C1)CCCN=C=S

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