Isothiocyanates
4-Ethylphenyl isothiocyanate, 97%, Thermo Scientific Chemicals
CAS: 18856-63-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00041101 InChI Key: XXLWCGRHJFEMQH-UHFFFAOYSA-N Synonym: 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# PubChem CID: 140438 IUPAC Name: 1-ethyl-4-isothiocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=S
3-(Methylthio)propyl isothiocyanate, 98%, Thermo Scientific Chemicals
CAS: 505-79-3 Molecular Formula: C5H9NS2 Molecular Weight (g/mol): 147.254 MDL Number: MFCD00209521 InChI Key: LDKSCZJUIURGMW-UHFFFAOYSA-N Synonym: 3-methylthio propyl isothiocyanate,iberverin,3-methylthiopropyl isothiocyanate,ibervirin,propane, 1-isothiocyanato-3-methylthio,unii-ytt13bn94z,3-methylmercaptopropyl isothiocyanate,isothiocyanic acid, 3-methylthio propyl ester,1-isothiocyanato-3-methylthio propane,fema no. 3312 PubChem CID: 62351 IUPAC Name: 1-isothiocyanato-3-methylsulfanylpropane SMILES: CSCCCN=C=S
2-(4-Morpholinyl)ethyl isothiocyanate, 97%, Thermo Scientific Chemicals
CAS: 63224-35-1 Molecular Formula: C7H12N2OS Molecular Weight (g/mol): 172.25 MDL Number: MFCD00041221 InChI Key: SDNSCXCXVQHBGH-UHFFFAOYSA-N Synonym: 2-morpholinoethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine,2-4-morpholino ethyl isothiocyanate,2-morpholinoethylisothiocyanate,4-2-isothiocyanato-ethyl-morpholine,2-morpholin-4-ylethanisothiocyanate,2-4-morpholinyl ethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine # PubChem CID: 143957 IUPAC Name: 4-(2-isothiocyanatoethyl)morpholine SMILES: S=C=NCCN1CCOCC1
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
1-Naphthyl isothiocyanate, 98%
CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.244 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
1-Butyl isothiocyanate, 98+%
CAS: 592-82-5 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004824 InChI Key: LIMQQADUEULBSO-UHFFFAOYSA-N Synonym: butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate PubChem CID: 11613 ChEBI: CHEBI:50534 IUPAC Name: 1-isothiocyanatobutane SMILES: CCCCN=C=S
Benzyl isothiocyanate, 98%
CAS: 622-78-6 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.22 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
Ethyl isothiocyanate, 96%
CAS: 542-85-8 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00004820 InChI Key: HBNYJWAFDZLWRS-UHFFFAOYSA-N Synonym: ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane PubChem CID: 10966 ChEBI: CHEBI:85098 IUPAC Name: isothiocyanatoethane SMILES: CCN=C=S
tert-Butyl isothiocyanate, 97%
CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S
Cyclohexylmethyl isothiocyanate, 97%
CAS: 52395-66-1 Molecular Formula: C8H13NS Molecular Weight (g/mol): 155.26 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: S=C=NCC1CCCCC1
3-Carboxyphenyl isothiocyanate, 97%
CAS: 2131-63-7 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.193 MDL Number: MFCD00041367 InChI Key: PJRBPKOOGLKPFB-UHFFFAOYSA-N Synonym: 3-carboxyphenyl isothiocyanate,3-carboxyphenylisothiocyanate,benzoic acid, 3-isothiocyanato,benzoic acid,3-isothiocyanato,acmc-20an7x,m-carboxyphenyl isothiocyanate,3-isothiocyanato-benzoic acid,# PubChem CID: 75046 IUPAC Name: 3-isothiocyanatobenzoic acid SMILES: C1=CC(=CC(=C1)N=C=S)C(=O)O
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
2-Chloroethyl isothiocyanate, 97%
CAS: 6099-88-3 Molecular Formula: C3H4ClNS Molecular Weight (g/mol): 121.582 MDL Number: MFCD00041125 InChI Key: ZUWFBQUHBOUPFK-UHFFFAOYSA-N Synonym: 2-chloroethyl isothiocyanate,2-chloroethylisothiocyanate,ethane, 1-chloro-2-isothiocyanato,sgxdlhbabrkth@,chloroethylisothiocyanate,acmc-1b2t4,beta-chloroethylisothiocyanate,beta-chloroethyl isothiocyanate,1-chloro-2-isothiocyanato-ethane,# PubChem CID: 138661 IUPAC Name: 1-chloro-2-isothiocyanatoethane SMILES: C(CCl)N=C=S
2-Chloro-4-nitrophenyl isothiocyanate, 97%
CAS: 23165-64-2 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.62 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: [O-][N+](=O)C1=CC(Cl)=C(C=C1)N=C=S
2,6-Dichlorophenyl isothiocyanate, 98+%
CAS: 6590-95-0 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041056 InChI Key: SUCGVQHNGIQXGD-UHFFFAOYSA-N Synonym: 2,6-dichlorophenyl isothiocyanate,2,6-dichlorophenylisothiocyanate,benzene, 1,3-dichloro-2-isothiocyanato,1,3-dichloro-2-isothiocyanato-benzene,benzene,1,3-dichloro-2-isothiocyanato,c7h3c12ns,2,6-dichlorobenzenisothiocyanate,2,6-dichlorophenyl-isothiocyanate,1,3-dichloro-2-thioisocyanato-benzene,2,6-dichloro-1-isothiocyanato-benzene PubChem CID: 123239 IUPAC Name: 1,3-dichloro-2-isothiocyanatobenzene SMILES: ClC1=CC=CC(Cl)=C1N=C=S