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CAS 385383-54-0

:

Methyl 2-[[(3-fluorophenyl)methyl]thio]benzoate

Description:
Methyl 2-[[(3-fluorophenyl)methyl]thio]benzoate, with the CAS number 385383-54-0, is an organic compound characterized by its ester functional group and the presence of a thioether linkage. This compound features a methyl ester derived from benzoic acid, where the benzoate moiety is substituted at the 2-position with a thioether group that connects to a 3-fluorophenylmethyl group. The presence of the fluorine atom on the phenyl ring can influence the compound's electronic properties, potentially enhancing its reactivity and solubility in various solvents. Methyl 2-[[(3-fluorophenyl)methyl]thio]benzoate may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its structural characteristics suggest it could participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. Additionally, the compound's stability, solubility, and reactivity can be influenced by the steric and electronic effects of the substituents present in its structure.
Formula:C15H13FO2S
InChI:InChI=1S/C15H13FO2S/c1-18-15(17)13-7-2-3-8-14(13)19-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3
InChI key:InChIKey=HZYHMYGNFVXVGY-UHFFFAOYSA-N
SMILES:S(CC1=CC(F)=CC=C1)C2=C(C(OC)=O)C=CC=C2
Synonyms:
  • Benzoic acid, 2-[[(3-fluorophenyl)methyl]thio]-, methyl ester
  • Methyl 2-[[(3-fluorophenyl)methyl]thio]benzoate
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