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CAS 939970-68-0

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2-Mercapto-3-methylbenzonitrile

Description:
2-Mercapto-3-methylbenzonitrile is an organic compound characterized by the presence of both a thiol (-SH) group and a nitrile (-CN) functional group, which contribute to its reactivity and potential applications in various chemical processes. The compound features a methyl group attached to a benzene ring, which is further substituted with a mercapto group at the 2-position and a nitrile group at the 3-position. This specific arrangement of functional groups can influence its chemical behavior, including its acidity, nucleophilicity, and potential for forming coordination complexes with metals. The presence of the thiol group suggests that it may participate in redox reactions and can act as a reducing agent. Additionally, the nitrile group may impart polar characteristics, enhancing solubility in polar solvents. Overall, 2-Mercapto-3-methylbenzonitrile is of interest in fields such as medicinal chemistry, materials science, and organic synthesis due to its unique structural features and functional properties.
Formula:C8H7NS
InChI:InChI=1S/C8H7NS/c1-6-3-2-4-7(5-9)8(6)10/h2-4,10H,1H3
InChI key:InChIKey=VMPHWIOWOVYWKZ-UHFFFAOYSA-N
SMILES:C(#N)C1=C(S)C(C)=CC=C1
Synonyms:
  • 2-Mercapto-3-methylbenzonitrile
  • 3-Methyl-2-sulfanylbenzonitrile
  • Benzonitrile, 2-mercapto-3-methyl-
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