PENTANE,3-4-EPI-THIO: 1-CYANO:

Structure

2D structure of PENTANE,3-4-EPI-THIO: 1-CYANO:
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

PENTANE,3-4-EPI-THIO: 1-CYANO:

IUPAC name

4,5-dimercaptohexanenitrile

SMILES

C(CC(C(C)S)S)C#N

General information

Molecular formula

C6H11NS2

Molecular weight

161.30 g/mol

Monoisotopic mass

161.0333 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
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