Isothiocyanates
3,4-Dimethoxyphenethyl isothiocyanate, 95%, Thermo Scientific™
CAS: 21714-25-0 Molecular Formula: C11H13NO2S Molecular Weight (g/mol): 223.29 MDL Number: MFCD00041366 InChI Key: GHYFLDWHIVKQLS-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl isothiocyanate,4-2-isothiocyanatoethyl-1,2-dimethoxybenzene,2-3,4-dimethoxyphenyl ethyl isothiocyanate,benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy,2-3,4-dimethoxyphenyl ethanisothiocyanate,acmc-20anep,3,4-dimethoxyphenethylisothiocyanate,b-3,4-dimethoxyphenyl ethyl isothiocyanate,3,4-dimethoxy-1-2-isothiocyanatoethyl benzene,4-2-isothiocyanatoethyl-1,2-dimethoxy-benzene PubChem CID: 140856 IUPAC Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene SMILES: COC1=CC=C(CCN=C=S)C=C1OC
2,4-Dichlorophenyl isothiocyanate, 97%
CAS: 6590-96-1 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 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: ClC1=CC=C(N=C=S)C(Cl)=C1
4-Methoxybenzyl isothiocyanate, 95%
CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD00041117 InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l PubChem CID: 123197 IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S
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
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
4-Methoxybenzyl isothiocyanate, 94%
CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00041117 InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l PubChem CID: 123197 IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S
1,4-Butane diisothiocyanate, 98%
CAS: 4430-51-7 Molecular Formula: C6H8N2S2 Molecular Weight (g/mol): 172.264 MDL Number: MFCD00041136 InChI Key: RRSISCMPUAGVJN-UHFFFAOYSA-N Synonym: 1,4-butane diisothiocyanate,butane, 1,4-diisothiocyanato,tetramethylene diisothiocyanate,# PubChem CID: 138238 IUPAC Name: 1,4-diisothiocyanatobutane SMILES: C(CCN=C=S)CN=C=S
2-Methoxyethyl isothiocyanate, 98+%
CAS: 38663-85-3 Molecular Formula: C4H7NOS Molecular Weight (g/mol): 117.166 MDL Number: MFCD00041126 InChI Key: HTSAVXAFEVUJQE-UHFFFAOYSA-N Synonym: 2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy PubChem CID: 123475 IUPAC Name: 1-isothiocyanato-2-methoxyethane SMILES: COCCN=C=S
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
4-Ethoxyphenyl isothiocyanate, 98%
CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00041096 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
1-Propyl isothiocyanate, 97%
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
Cyclopropyl isothiocyanate, 97%
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
1-Naphthyl isothiocyanate, 98%
CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.25 MDL Number: MFCD00003882 InChI Key: JBDOSUUXMYMWQH-UHFFFAOYSA-N Synonym: 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester PubChem CID: 11080 ChEBI: CHEBI:35455 IUPAC Name: 1-isothiocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=S
2,3-Dichlorophenyl isothiocyanate 97%, Thermo Scientific™
CAS: 6590-97-2 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041048 InChI Key: RQZIODPVCCTBAQ-UHFFFAOYSA-N PubChem CID: 2796281 IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene SMILES: ClC1=CC=CC(N=C=S)=C1Cl