CAS 82145-80-0

4-[(2-Pyridinylthio)methyl]benzoic acid

Description:

4-[(2-Pyridinylthio)methyl]benzoic acid, with the CAS number 82145-80-0, is an organic compound characterized by its unique structure that includes a benzoic acid moiety and a pyridinylthio group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including potential solubility in polar solvents due to the carboxylic acid functional group. The presence of the pyridine ring may impart basicity and influence its reactivity, making it a candidate for various chemical reactions, such as nucleophilic substitutions or coupling reactions. Additionally, the thioether linkage can enhance the compound's stability and may contribute to its biological activity. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific physical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally or sourced from reliable databases for precise applications.

Formula: C₁₃H₁₁NO₂S

InChI: InChI=1S/C13H11NO2S/c15-13(16)11-6-4-10(5-7-11)9-17-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)

InChI key: InChIKey=WVJPZRUUOGYPAV-UHFFFAOYSA-N

SMILES: C(SC1=CC=CC=N1)C2=CC=C(C(O)=O)C=C2

Synonyms:

• 4-[(2-Pyridinylthio)methyl]benzoic acid
• 4-[(Pyridin-2-Ylthio)Methyl]Benzoic Acid
• Benzoic Acid, 4-[(2-Pyridinylthio)Methyl]-

4-[(pyridin-2-ylthio)methyl]benzoic acid

CAS: 82145-80-0

Formula: C₁₃H₁₁NO₂S

Molecular weight: 245.2969

Ref: IN-DA005A4C