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CAS 52548-96-6

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2-(Phenylthio)-5-(trifluoromethyl)benzoic acid

Description:
2-(Phenylthio)-5-(trifluoromethyl)benzoic acid, with the CAS number 52548-96-6, is an organic compound characterized by its unique functional groups and structural features. It contains a benzoic acid moiety, which is a carboxylic acid attached to a benzene ring, contributing to its acidity and potential reactivity. The presence of a trifluoromethyl group (-CF3) enhances its lipophilicity and can influence its electronic properties, making it a valuable compound in medicinal chemistry and materials science. Additionally, the phenylthio group (-SPh) introduces sulfur into the structure, which can affect the compound's solubility and reactivity. This compound may exhibit interesting biological activities due to its structural characteristics, making it a subject of interest in various research fields. Its synthesis and applications could be explored in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Overall, 2-(Phenylthio)-5-(trifluoromethyl)benzoic acid is a versatile compound with potential implications in chemical research and development.
Formula:C14H9F3O2S
InChI:InChI=1S/C14H9F3O2S/c15-14(16,17)9-6-7-12(11(8-9)13(18)19)20-10-4-2-1-3-5-10/h1-8H,(H,18,19)
InChI key:InChIKey=QTOLCTUWRPDFOF-UHFFFAOYSA-N
SMILES:S(C1=C(C(O)=O)C=C(C(F)(F)F)C=C1)C2=CC=CC=C2
Synonyms:
  • 2-(Phenylsulfanyl)-5-(trifluoromethyl)benzoic acid
  • 2-Phenylsulfanyl-5-trifluoromethyl-benzoic acid
  • 2-Phenylthio-5-trifluoromethylbenzoic acid
  • Benzoic acid, 2-(phenylthio)-5-(trifluoromethyl)-
  • 2-(Phenylthio)-5-(trifluoromethyl)benzoic acid
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