CAS 99613-56-6

2-(Methylsulfinyl)benzeneacetonitrile

Description:

2-(Methylsulfinyl)benzeneacetonitrile, identified by its CAS number 99613-56-6, is an organic compound characterized by the presence of a benzene ring substituted with a methylsulfinyl group and an acetonitrile functional group. This compound typically exhibits a polar nature due to the presence of the nitrile group, which can engage in hydrogen bonding and dipole-dipole interactions. The methylsulfinyl group contributes to its reactivity and may influence its solubility in various solvents. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its specific form and purity. Its structure suggests potential applications in organic synthesis, pharmaceuticals, or agrochemicals, particularly due to the presence of the nitrile group, which is often involved in nucleophilic reactions. Safety data should be consulted for handling, as compounds with similar functional groups can exhibit toxicity or irritant properties. Overall, 2-(Methylsulfinyl)benzeneacetonitrile is a compound of interest in various chemical research fields.

Formula: C₉H₉NOS

InChI: InChI=1S/C9H9NOS/c1-12(11)9-5-3-2-4-8(9)6-7-10/h2-5H,6H2,1H3

InChI key: InChIKey=RLVUNTYFANWVDJ-UHFFFAOYSA-N

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

Synonyms:

• 2-(2-Methanesulfinylphenyl)acetonitrile
• Benzeneacetonitrile, 2-(methylsulfinyl)-
• 2-(Methylsulfinyl)benzeneacetonitrile