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CAS 162965-55-1

:

2-[(2,2,2-Trifluoroethyl)thio]benzoic acid

Description:
2-[(2,2,2-Trifluoroethyl)thio]benzoic acid, with the CAS number 162965-55-1, is an organic compound characterized by the presence of a benzoic acid moiety substituted with a thioether group containing a trifluoroethyl group. This compound features a sulfur atom bonded to a trifluoroethyl group, which imparts unique electronic and steric properties due to the presence of the highly electronegative fluorine atoms. The trifluoroethyl group enhances the lipophilicity and may influence the compound's reactivity and solubility in various solvents. The benzoic acid part of the molecule contributes to its acidity and potential for forming salts or esters. This compound may exhibit interesting biological activities and could be of interest in pharmaceutical research or material science. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Overall, 2-[(2,2,2-Trifluoroethyl)thio]benzoic acid represents a unique structure with potential applications in various fields.
Formula:C9H7F3O2S
InChI:InChI=1S/C9H7F3O2S/c10-9(11,12)5-15-7-4-2-1-3-6(7)8(13)14/h1-4H,5H2,(H,13,14)
InChI key:InChIKey=OCTLXWNDUQYRCZ-UHFFFAOYSA-N
SMILES:S(CC(F)(F)F)C1=C(C(O)=O)C=CC=C1
Synonyms:
  • 2-[(2,2,2-Trifluoroethyl)sulfanyl]benzoic acid
  • 2-[(2,2,2-Trifluoroethyl)thio]benzoic acid
  • Benzoic acid, 2-[(2,2,2-trifluoroethyl)thio]-
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