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CAS 63647-65-4

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4-[(Trifluoromethyl)sulfonyl]benzenethiol

Description:
4-[(Trifluoromethyl)sulfonyl]benzenethiol, with the CAS number 63647-65-4, is an organosulfur compound characterized by the presence of a thiol (-SH) group and a trifluoromethylsulfonyl (-SO2CF3) moiety attached to a benzene ring. This compound typically exhibits a high degree of polarity due to the electronegative trifluoromethyl and sulfonyl groups, which can influence its solubility in various solvents. The presence of the thiol group imparts reactivity, allowing it to participate in nucleophilic substitution reactions and form disulfides or react with electrophiles. Additionally, the trifluoromethyl group enhances the compound's stability and can improve its lipophilicity, making it useful in various chemical applications, including as a building block in organic synthesis and in the development of pharmaceuticals. The compound's unique properties may also lend it potential utility in materials science and as a reagent in chemical research. Safety precautions should be observed when handling this substance due to its potential toxicity and reactivity.
Formula:C7H5F3O2S2
InChI:InChI=1S/C7H5F3O2S2/c8-7(9,10)14(11,12)6-3-1-5(13)2-4-6/h1-4,13H
InChI key:InChIKey=KPCIEOCEYIZTEF-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)(=O)(=O)C1=CC=C(S)C=C1
Synonyms:
  • Benzenethiol, 4-[(trifluoromethyl)sulfonyl]-
  • 4-[(Trifluoromethyl)sulfonyl]benzenethiol
  • p-[(Trifluoromethyl)sulfonyl]benzenethiol
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