BENZYL-ISOTHIOCYANATE

Structure

2D structure of BENZYL-ISOTHIOCYANATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 2346

Names and identifiers

Name

BENZYL-ISOTHIOCYANATE

IUPAC name

(isothiocyanatomethyl)benzene

SMILES

C1=CC=C(C=C1)CN=C=S

General information

Molecular formula

C8H7NS

Molecular weight

149.22 g/mol

Monoisotopic mass

149.0299 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Alliaria petiolata (M.Bieb.) Cavara & Grande essential oil 2-25 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.