PROP-2-ENYL-ISOTHIOCYANATE

Structure

2D structure of PROP-2-ENYL-ISOTHIOCYANATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 54292046

Names and identifiers

Name

PROP-2-ENYL-ISOTHIOCYANATE

IUPAC name

(E)-1-isothiocyanatoprop-1-ene

SMILES

C(N=C=S)=CC

General information

Molecular formula

C4H5NS

Molecular weight

99.16 g/mol

Monoisotopic mass

99.0143 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 - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Arabidopsis thaliana (L.) Heynh. - -
Cole, R.A. (1975). 1-cyanoepithioalkanes: major products of alkenylglucosinolate hydrolysis in certain Cruciferae. Phytochemistry, 14, 2293-2294 doi:10.1016/s0031-9422(00)91120-8