Isothiocyanates
1-Naphthyl Isothiocyanate 98.0+%, TCI America™
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
3-Pyridyl Isothiocyanate 98.0+%, TCI America™
CAS: 17452-27-6 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00052351 InChI Key: VMSZFBSYWXMXRF-UHFFFAOYSA-N PubChem CID: 2737242 IUPAC Name: 3-isothiocyanatopyridine SMILES: C1=CC(=CN=C1)N=C=S
m-Tolyl Isothiocyanate 98.0+%, TCI America™
CAS: 621-30-7 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.21 MDL Number: MFCD00004807 InChI Key: BDPQUWSFKCFOST-UHFFFAOYSA-N Synonym: m-tolyl isothiocyanate,3-methylphenyl isothiocyanate,m-tolylisothiocyanate,benzene, 1-isothiocyanato-3-methyl,3-tolyl isothiocyanate,isothiocyanic acid m-tolyl ester,1-isothiocyanato-3-methyl-benzene,1-isothiocyanato-3-methylbenzol,3-isothiocyanatotoluene,acmc-209mzt PubChem CID: 69304 IUPAC Name: 1-isothiocyanato-3-methylbenzene SMILES: CC1=CC=CC(=C1)N=C=S
Butyl Isothiocyanate 98.0+%, TCI America™
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
3-(Methylthio)propyl Isothiocyanate 97.0+%, TCI America™
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-Dimethoxyphenyl Isothiocyanate 98.0+%, TCI America™
CAS: 33904-03-9 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD00041058 InChI Key: CNXSCEPTSXPBTP-UHFFFAOYSA-N Synonym: 2,4-dimethoxyphenyl isothiocyanate,1-isothiocyanato-2,4-dimethoxy-benzene,2,4-dimethoxybenzenisothiocyanate,acmc-20aock,2,4-dimethoxyphenylisothiocyanate,1-isothiocyanato-2.4-dimethoxybenzene,isothiocyanic acid 2,4-dimethoxyphenyl ester PubChem CID: 2736202 IUPAC Name: 1-isothiocyanato-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)N=C=S)OC
4-(Trifluoromethoxy)phenyl Isothiocyanate 98.0+%, TCI America™
CAS: 64285-95-6 Molecular Formula: C8H4F3NOS Molecular Weight (g/mol): 219.181 MDL Number: MFCD00042412 InChI Key: JKSZUQPHKOPVHF-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenyl isothiocyanate,1-isothiocyanato-4-trifluoromethoxy benzene,benzene,1-isothiocyanato-4-trifluoromethoxy,benzene, 1-isothiocyanato-4-trifluoromethoxy,4-trifluoromethoxy phenylisothiocyanate,1-isothiocyanato-4-trifluoromethoxy-benzene,acmc-1b5bx,4-trifluoromethoxyphenyl isothiocyanate,4-trifluoromethoxyphenyl-isothiocyanate,4-trifluoromethoxy benzenisothiocyanate PubChem CID: 2777338 IUPAC Name: 1-isothiocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=S)OC(F)(F)F
2,3-Dichlorophenyl Isothiocyanate 98.0+%, TCI America™
CAS: 6590-97-2 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041048 InChI Key: RQZIODPVCCTBAQ-UHFFFAOYSA-N Synonym: 2,3-dichlorophenyl isothiocyanate,2,3-dichlorophenylisothiocyanate,benzene,1,2-dichloro-3-isothiocyanato,benzene, 1,2-dichloro-3-isothiocyanato,dichlorophenylisothiocyanate,dichlorophenyl isothiocyanate,acmc-1b4g1,2,3-dichlorophenyl-isothiocyanate,1,2-dichloro-3-isothiocyanato-benzene,2,3-dichloro-1-isothiocyanato-benzene PubChem CID: 2796281 IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene SMILES: ClC1=CC=CC(N=C=S)=C1Cl
Ethyl Isothiocyanate 97.0+%, TCI America™
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
2-Phenylethyl Isothiocyanate 97.0+%, TCI America™
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
4-Penten-1-yl Isothiocyanate 95.0+%, TCI America™
CAS: 18060-79-2 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.21 MDL Number: MFCD00191527 InChI Key: DBISBKDNOKIADM-UHFFFAOYSA-N Synonym: Isothiocyanic Acid 4-Penten-1-yl Ester PubChem CID: 87436 IUPAC Name: 5-isothiocyanatopent-1-ene SMILES: C=CCCCN=C=S
4-Dimethylamino-1-naphthyl Isothiocyanate 98.0+%, TCI America™
CAS: 29711-79-3 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00003883 InChI Key: SMZHGTXTWIAKGS-UHFFFAOYSA-N Synonym: 4-dimethylamino-1-naphthylisothiocyanate,4-dimethylamino-1-naphthyl isothiocyanate,danito,4-n,n-dimethylamino-1-naphthylisothiocyanate,n-4-isothiocyanato-1-naphthyl-n,n-dimethylamine,4-isothiocyanato-n,n-dimethyl-1-naphthalenamine,4-dimethylamino naphthalenisothiocyanate,acmc-209umu,4-dimethylamino-1-naphthyl 1sothiocyanate PubChem CID: 122465 IUPAC Name: 4-isothiocyanato-N,N-dimethylnaphthalen-1-amine SMILES: CN(C)C1=C2C=CC=CC2=C(C=C1)N=C=S
Benzyl Isothiocyanate 98.0+%, TCI America™
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