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CAS 845266-20-8

:

3-[(2-Thienylthio)methyl]benzoic acid

Description:
3-[(2-Thienylthio)methyl]benzoic acid, identified by its CAS number 845266-20-8, is an organic compound characterized by the presence of a benzoic acid moiety substituted with a thienylthio group. This compound features a thienyl ring, which is a five-membered aromatic heterocycle containing sulfur, linked through a thioether (-S-) to a methyl group that is further connected to the benzoic acid structure. The presence of the carboxylic acid functional group (-COOH) imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. The thienylthio substituent may influence the compound's solubility, reactivity, and potential biological activity, making it of interest in medicinal chemistry and material science. Additionally, the compound's structural features suggest potential applications in organic synthesis and as a building block for more complex molecules. Its unique characteristics may also contribute to its behavior in different solvents and under varying pH conditions.
Formula:C12H10O2S2
InChI:InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14)
InChI key:InChIKey=WSMPZJFCOIZVQR-UHFFFAOYSA-N
SMILES:C(SC1=CC=CS1)C2=CC(C(O)=O)=CC=C2
Synonyms:
  • 3-((Thiophen-2-ylthio)methyl)benzoic acid
  • 3-[(2-Thienylsulfanyl)methyl]benzoic acid
  • 3-[(2-Thienylthio)Methyl]Benzoic Acid
  • Benzoic Acid, 3-[(2-Thienylthio)Methyl]-
  • 3-[(Thiophen-2-ylsulfanyl)methyl]benzoic acid
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