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CAS 142994-05-6

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2-(Methylthio)-4-(trifluoromethyl)benzoic acid

Description:
2-(Methylthio)-4-(trifluoromethyl)benzoic acid, with the CAS number 142994-05-6, is an organic compound characterized by its unique functional groups and structural features. This compound contains a benzoic acid moiety, which is a carboxylic acid attached to a benzene ring, providing it with acidic properties. The presence of a methylthio group (-S-CH3) introduces a sulfur atom, which can influence the compound's reactivity and solubility. Additionally, the trifluoromethyl group (-CF3) significantly enhances the compound's lipophilicity and can affect its electronic properties, making it a useful building block in pharmaceuticals and agrochemicals. The trifluoromethyl group is known for its ability to stabilize radical intermediates and enhance metabolic stability. Overall, this compound exhibits characteristics typical of aromatic carboxylic acids, including potential applications in synthesis and as a reagent in various chemical reactions, while its unique substituents may impart specific biological activities or interactions.
Formula:C9H7F3O2S
InChI:InChI=1S/C9H7F3O2S/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChI key:InChIKey=VAFHTUOXGAZOQY-UHFFFAOYSA-N
SMILES:S(C)C1=C(C(O)=O)C=CC(C(F)(F)F)=C1
Synonyms:
  • 2-Methylsulfanyl-4-trifluoromethyl-benzoic acid
  • Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-
  • 2-(Methylthio)-4-(trifluoromethyl)benzoic acid
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