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CAS 34761-11-0

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2-Mercaptobenzonitrile

Description:
2-Mercaptobenzonitrile, also known by its IUPAC name 2-mercaptobenzene-1-carbonitrile, is an organic compound characterized by the presence of both a thiol (-SH) group and a nitrile (-CN) group attached to a benzene ring. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. Its molecular structure features a benzene ring with a mercapto group positioned at the ortho position relative to the nitrile group, which influences its reactivity and properties. 2-Mercaptobenzonitrile is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the reactivity of the thiol group. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Safety precautions should be taken when handling this compound, as thiols can be malodorous and may pose health risks. Proper storage and disposal methods are essential to mitigate any environmental impact.
Formula:C7H5NS
InChI:InChI=1S/C7H5NS/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChI key:InChIKey=AOYOBWSGCQMROU-UHFFFAOYSA-N
SMILES:C(#N)C1=C(S)C=CC=C1
Synonyms:
  • 2-Cyanobenzenethiol
  • 2-Mercapto-Benzonitrile
  • 2-Mercaptobenzonitrile
  • 2-Sulfanylbenzonitrile
  • o-Cyanothiophenol
  • o-Mercaptobenzonitrile
  • Benzonitrile, 2-mercapto-
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