benzyl isothiocyanate


benzyl isothiocyanate; benzyl mustard oil; isothiocyanatomethylbenzene; isothiocyanic acid benzyl ester
Links:📏 NIST, 📖 PubMed
CAS RN:[622-78-6]
Formula:C8H7NS; 149.22 g/mol
InChiKey:MDKCFLQDBWCQCV-UHFFFAOYSA-N
SMILES:S=C=NCc1ccccc1
Molecular structure of benzyl isothiocyanate
Pharmaceutical use:antitumor; bactericide; fungicide
Density:1.125 g/mL
Molar volume:132.6 mL/mol
Refractive index:1.603
Molecular refractive power:45.56 mL/mol
Melting point:41 °C
Boiling point:243 °C
Log10 partition octanol / water:3.16

Isomers

benzyl isothiocyanate
Molecular structure of benzyl isothiocyanate
benzyl thiocyanate
Molecular structure of benzyl thiocyanate
1-isothiocyanato-2-methylbenzene
Molecular structure of 1-isothiocyanato-2-methylbenzene
1-isothiocyanato-3-methylbenzene
Molecular structure of 1-isothiocyanato-3-methylbenzene
1-isothiocyanato-4-methylbenzene
Molecular structure of 1-isothiocyanato-4-methylbenzene
2-methylbenzothiazole
Molecular structure of 2-methylbenzothiazole
2-methylsulfanylbenzonitrile
Molecular structure of 2-methylsulfanylbenzonitrile
4-(methylthio)benzonitrile
Molecular structure of 4-(methylthio)benzonitrile
(phenylthio)acetonitrile
Molecular structure of (phenylthio)acetonitrile