CAS 129644-58-2

2-Hydroxy-5-[(trifluoromethyl)thio]benzoic acid

Description:

2-Hydroxy-5-[(trifluoromethyl)thio]benzoic acid, with the CAS number 129644-58-2, is an organic compound characterized by the presence of a hydroxyl group and a trifluoromethylthio group attached to a benzoic acid structure. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity in various chemical reactions. The trifluoromethylthio group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical and agrochemical applications. The presence of the hydroxyl group can also facilitate hydrogen bonding, affecting its solubility and interaction with other molecules. Additionally, the compound's unique structure may impart specific properties such as stability under certain conditions and potential use as a building block in synthetic chemistry. Overall, 2-Hydroxy-5-[(trifluoromethyl)thio]benzoic acid exhibits characteristics that make it valuable for research and development in various chemical fields.

Formula: C₈H₅F₃O₃S

InChI: InChI=1S/C8H5F3O3S/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)

InChI key: InChIKey=DJJHXLKWYRDHRZ-UHFFFAOYSA-N

SMILES: S(C(F)(F)F)C1=CC(C(O)=O)=C(O)C=C1

Synonyms:

• Benzoic acid, 2-hydroxy-5-[(trifluoromethyl)thio]-
• 2-Hydroxy-5-[(trifluoromethyl)thio]benzoic acid
• 2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid