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CAS 886496-67-9

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2-(Trifluoromethyl)benzenecarbothioamide

Description:
2-(Trifluoromethyl)benzenecarbothioamide is an organic compound characterized by the presence of a trifluoromethyl group (-CF3) attached to a benzene ring, along with a carbothioamide functional group (-C(S)NH2). This compound typically exhibits properties associated with both aromatic and sulfur-containing compounds. The trifluoromethyl group contributes to its lipophilicity and can enhance the compound's biological activity, making it of interest in medicinal chemistry. The carbothioamide moiety can participate in various chemical reactions, including nucleophilic substitutions and coordination with metal ions. The presence of fluorine atoms often imparts unique electronic properties, influencing the compound's reactivity and stability. Additionally, the compound may exhibit specific solubility characteristics, depending on the solvent used, and can be analyzed using techniques such as NMR spectroscopy and mass spectrometry. Overall, 2-(Trifluoromethyl)benzenecarbothioamide is a compound of interest for its potential applications in pharmaceuticals and agrochemicals, owing to its unique structural features and reactivity.
Formula:C8H6F3NS
InChI:InChI=1/C8H6F3NS/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChI key:InChIKey=MBSSSIMORFRLOK-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C(N)=S)C=CC=C1
Synonyms:
  • 2-(Trifluoromethyl)benzene-1-carbothioamide
  • 2-(Trifluoromethyl)benzothioamide
  • 2-(Trifluoromethyl)thiobenzamide
  • Benzenecarbothioamide, 2-(trifluoromethyl)-
  • Suyzr Bxfff
  • 2-(Trifluoromethyl)benzenecarbothioamide
  • 2-(Trifluoromethyl)benzenecarbothioamide, 2-Carbamothioylbenzotrifluoride
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