CAS 110888-21-6: 4-Mercapto-2-methylbenzonitrile

Description:4-Mercapto-2-methylbenzonitrile, with the CAS number 110888-21-6, is an organic compound characterized by the presence of both a thiol (-SH) group and a nitrile (-CN) group attached to a methyl-substituted benzene ring. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. The thiol group imparts distinctive reactivity, allowing for potential applications in organic synthesis and as a reducing agent. The nitrile group contributes to the compound's polarity and can participate in various chemical reactions, including nucleophilic additions. Additionally, the presence of the methyl group influences the compound's steric and electronic properties, potentially affecting its reactivity and interactions with other molecules. 4-Mercapto-2-methylbenzonitrile may be utilized in the development of pharmaceuticals, agrochemicals, or as a building block in materials science. Safety data should be consulted for handling and storage, as thiol compounds can be malodorous and may pose health risks.

Formula:C₈H₇NS

InChI:InChI=1S/C8H7NS/c1-6-4-8(10)3-2-7(6)5-9/h2-4,10H,1H3

InChI key:InChIKey=BJOUKTFDTLCMGH-UHFFFAOYSA-N

SMILES:N#CC1=CC=C(S)C=C1C