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CAS 1374518-05-4

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4-Fluoro-2-mercaptobenzonitrile

Description:
4-Fluoro-2-mercaptobenzonitrile is an organic compound characterized by the presence of a fluorine atom, a thiol (-SH) group, and a nitrile (-C≡N) functional group attached to a benzene ring. The fluorine substitution at the para position relative to the thiol group influences the compound's reactivity and polarity. The thiol group contributes to its potential as a nucleophile in various chemical reactions, while the nitrile group can participate in electrophilic reactions due to its electron-withdrawing nature. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its unique combination of functional groups makes it of interest in medicinal chemistry and materials science, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the presence of the fluorine atom can enhance the compound's metabolic stability and bioavailability. Safety data should be consulted for handling and storage, as compounds containing thiol groups can be sensitive to oxidation and may have specific toxicity profiles.
Formula:C7H4FNS
InChI:InChI=1S/C7H4FNS/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H
InChI key:InChIKey=GKFZTBZFMRQWKA-UHFFFAOYSA-N
SMILES:C(#N)C1=C(S)C=C(F)C=C1
Synonyms:
  • Benzonitrile, 4-fluoro-2-mercapto-
  • 4-Fluoro-2-mercaptobenzonitrile
  • 2-Mercapto-4-fluoro-benzonitrile
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