CAS 130783-05-0

4-Mercapto-1,3-benzenedicarbonitrile

Description:

4-Mercapto-1,3-benzenedicarbonitrile, with the CAS number 130783-05-0, is an organic compound characterized by the presence of both thiol (-SH) and nitrile (-CN) functional groups. This compound features a benzene ring substituted with two cyano groups at the 1 and 3 positions and a thiol group at the 4 position, which contributes to its unique chemical reactivity and properties. The presence of the thiol group imparts potential for forming disulfide bonds and participating in redox reactions, while the nitrile groups can engage in nucleophilic addition reactions. This compound is typically used in organic synthesis and may serve as a building block for more complex molecules. Its properties include moderate solubility in polar solvents and potential applications in materials science, particularly in the development of polymers or as a ligand in coordination chemistry. Safety precautions should be taken when handling this compound, as thiols can be malodorous and may pose health risks.

Formula: C₈H₄N₂S

InChI: InChI=1S/C8H4N2S/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,11H

InChI key: InChIKey=ZNNKUORNMBXZLO-UHFFFAOYSA-N

SMILES: C(#N)C1=CC(C#N)=CC=C1S

Synonyms:

• 1,3-Benzenedicarbonitrile, 4-mercapto-
• 4-Mercapto-1,3-benzenedicarbonitrile