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CAS 886361-21-3

:

2-[(3,3,3-Trifluoro-2-hydroxypropyl)thio]benzoic acid

Description:
2-[(3,3,3-Trifluoro-2-hydroxypropyl)thio]benzoic acid, with the CAS number 886361-21-3, is an organic compound characterized by the presence of a benzoic acid moiety and a trifluorinated hydroxypropylthio group. This compound features a sulfur atom that connects the benzoic acid to the hydroxypropyl group, which is further substituted with three fluorine atoms and a hydroxyl group. The trifluoromethyl group contributes to the compound's lipophilicity and potential biological activity, while the hydroxyl group can participate in hydrogen bonding, influencing solubility and reactivity. The presence of the benzoic acid functional group suggests potential applications in pharmaceuticals or agrochemicals, as benzoic acid derivatives are often used for their antimicrobial and anti-inflammatory properties. Additionally, the trifluoromethyl group can enhance metabolic stability and alter the compound's pharmacokinetic profile. Overall, this compound's unique structure may lead to interesting chemical behavior and applications in various fields, including medicinal chemistry and materials science.
Formula:C10H9F3O3S
InChI:InChI=1S/C10H9F3O3S/c11-10(12,13)8(14)5-17-7-4-2-1-3-6(7)9(15)16/h1-4,8,14H,5H2,(H,15,16)
InChI key:InChIKey=GQKOZTHXABATEO-UHFFFAOYSA-N
SMILES:S(CC(C(F)(F)F)O)C1=C(C(O)=O)C=CC=C1
Synonyms:
  • Benzoic acid, 2-[(3,3,3-trifluoro-2-hydroxypropyl)thio]-
  • 2-[(3,3,3-Trifluoro-2-hydroxypropyl)thio]benzoic acid
  • 2-[(3,3,3-TRIFLUORO-2-HYDROXYPROPYL)SULFANYL]BENZENECARBOXYLIC ACID
  • 2-[(3,3,3-TRIFLUORO-2-HYDROXYPROPYL)SULPHANYL]BENZOIC ACID
  • 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfanyl]benzoic acid
  • 2-[(2-Hydroxy-3,3,3-trifluoroprop-1-yl)sulphanyl]benzoic acid, 3-[(2-Carboxyphenyl)sulphanyl)-1,1,1-trifluoropropan-2-ol
  • 2-[(2-Hydroxy-3,3,3-trifluoroprop-1-yl)thio]benzoic acid
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