BUTANE-1-4-DIOIC ACID

Structure

2D structure of BUTANE-1-4-DIOIC ACID
2D structure
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3D model

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

Names and identifiers

Name

BUTANE-1-4-DIOIC ACID

IUPAC name

4,5-dimercaptopentanenitrile

SMILES

C(CC(CS)S)C#N

General information

Molecular formula

C5H9NS2

Molecular weight

147.27 g/mol

Monoisotopic mass

147.0176 Da

Classification

Pathway:
-
Superclass:
-
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Stellaria media (L.) Vill. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.