CAS 918967-41-6

3-Methyl-4-(methylthio)benzonitrile

Description:

3-Methyl-4-(methylthio)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a methyl group and a methylthio group, as well as a nitrile functional group. The presence of the nitrile (-C≡N) group indicates that it has a triple bond between carbon and nitrogen, contributing to its reactivity and potential applications in organic synthesis. The methylthio group (-S-CH3) enhances its chemical properties, potentially influencing its solubility and reactivity in various chemical environments. This compound is typically a solid at room temperature and may exhibit moderate polarity due to the presence of the nitrile group. Its molecular structure suggests potential uses in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards. Proper storage and disposal methods are essential to mitigate any potential risks associated with its use.

Formula: C₉H₉NS

InChI: InChI=1S/C9H9NS/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,1-2H3

InChI key: InChIKey=BGEOBICMHWOYBC-UHFFFAOYSA-N

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

Synonyms:

• 3-Methyl-4-methylsulfanylbenzonitrile
• 3-Methyl-4-(methylthio)benzonitrile
• Benzonitrile, 3-methyl-4-(methylthio)-
• 3-Methyl-4-(methylsulfanyl)benzonitrile