ISOTHIOCYANATE-4-HYDROXY-BENZYL

Structure

2D structure of ISOTHIOCYANATE-4-HYDROXY-BENZYL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 160611

Names and identifiers

Name

ISOTHIOCYANATE-4-HYDROXY-BENZYL

IUPAC name

4-(isothiocyanatomethyl)phenol

SMILES

C1=CC(=CC=C1CN=C=S)O

General information

Molecular formula

C8H7NOS

Molecular weight

165.22 g/mol

Monoisotopic mass

165.0248 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Lepidium draba L. subsp. draba flower -
Senatore, F., Rigano, D., Grassia, A., Randazzo, A. (2003). 4-hydroxybenzyl glucosinolate from Cardaria draba (Cruciferae). Biochem Syst Ecol, 31(10), 1205-1207 doi:10.1016/s0305-1978(03)00071-1