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CAS 385383-55-1

:

Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)thio]benzoate

Description:
Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)thio]benzoate, with the CAS number 385383-55-1, is an organic compound characterized by its ester functional group and the presence of a trifluoromethyl group. This compound features a benzoate moiety, which contributes to its aromatic properties, and a thioether linkage that enhances its reactivity and solubility in various organic solvents. The trifluoro group imparts unique electronic properties, making the compound potentially useful in various applications, including pharmaceuticals and agrochemicals. The hydroxyl group in the structure can participate in hydrogen bonding, influencing its physical properties such as boiling point and solubility. Additionally, the presence of fluorine atoms typically enhances the compound's stability and lipophilicity. Overall, this compound's unique structural features suggest it may exhibit interesting biological activities and could be of interest in synthetic chemistry and material science.
Formula:C11H11F3O3S
InChI:InChI=1S/C11H11F3O3S/c1-17-10(16)7-4-2-3-5-8(7)18-6-9(15)11(12,13)14/h2-5,9,15H,6H2,1H3
InChI key:InChIKey=CYSVSYZMNULSCR-UHFFFAOYSA-N
SMILES:S(CC(C(F)(F)F)O)C1=C(C(OC)=O)C=CC=C1
Synonyms:
  • Benzoic acid, 2-[(3,3,3-trifluoro-2-hydroxypropyl)thio]-, methyl ester
  • Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)thio]benzoate
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