CAS 77474-63-6

4-(Phenylthio)-1,2-benzenedicarbonitrile

Description:

4-(Phenylthio)-1,2-benzenedicarbonitrile, with the CAS number 77474-63-6, is an organic compound characterized by its complex structure, which includes a phenylthio group and two cyano (nitrile) functional groups attached to a benzene ring. This compound typically exhibits a solid state at room temperature and is known for its potential applications in organic synthesis and materials science. The presence of the cyano groups contributes to its reactivity, making it a useful intermediate in various chemical reactions, including nucleophilic additions and cycloadditions. Additionally, the phenylthio moiety can enhance the compound's solubility in organic solvents and may influence its electronic properties. The compound's stability and reactivity can be affected by environmental factors such as temperature and pH. Due to its specific functional groups, it may also exhibit interesting optical or electronic properties, making it a subject of interest in research related to organic electronics or photonics. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₄H₈N₂S

InChI: InChI=1S/C14H8N2S/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H

InChI key: InChIKey=DONGQQAAIOHUPL-UHFFFAOYSA-N

SMILES: S(C1=CC(C#N)=C(C#N)C=C1)C2=CC=CC=C2

Synonyms:

• 4-(Phenylthio)phthalonitrile
• 4-(Phenylthio)-1,2-benzenedicarbonitrile
• NSC 646246
• 1,2-Benzenedicarbonitrile, 4-(phenylthio)-
• 4-(Phenylsulfanyl)benzene-1,2-dicarbonitrile

4-(Phenylthio)phthalonitrile

CAS: 77474-63-6

Formula: C₁₄H₈N₂S

Molecular weight: 236.2917

Ref: IN-DA008MPO