CAS 852952-22-8

4-(2-Pyridinylthio)benzoic acid

Description:

4-(2-Pyridinylthio)benzoic acid, with the CAS number 852952-22-8, is an organic compound characterized by its unique structure that includes a benzoic acid moiety and a pyridinylthio group. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. Its molecular structure features a pyridine ring attached via a sulfur atom to a benzoic acid, which contributes to its potential biological activity and reactivity. The presence of both the aromatic ring and the carboxylic acid functional group suggests that it may participate in hydrogen bonding and π-π interactions, making it useful in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the compound may exhibit properties such as antimicrobial or anti-inflammatory activities, although specific biological effects would depend on further empirical studies. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₁₂H₉NO₂S

InChI: InChI=1S/C12H9NO2S/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)

InChI key: InChIKey=ZBGAGYNJDAOUCU-UHFFFAOYSA-N

SMILES: S(C1=CC=C(C(O)=O)C=C1)C2=CC=CC=N2

Synonyms:

• 4-(2-Pyridinylthio)benzoic acid
• Benzoic acid, 4-(2-pyridinylthio)-

4-(Pyridin-2-ylsulfanyl)benzoic acid

CAS: 852952-22-8

Versatile small molecule scaffold

Formula: C₁₂H₉NO₂S

Purity: Min. 95%

Molecular weight: 231.27 g/mol

Ref: 3D-CJB95222