CAS 565174-28-9

3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid

Description:

3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid, with the CAS number 565174-28-9, is a chemical compound characterized by its unique structural features, which include a benzofuran moiety and a thioether functional group. This compound typically exhibits properties associated with both aromatic and carboxylic acid functionalities, contributing to its potential reactivity and solubility characteristics. The presence of the phenylmethylthio group may enhance its lipophilicity, influencing its interactions in biological systems. Additionally, the carboxylic acid group can participate in hydrogen bonding and may affect the compound's acidity and reactivity in various chemical environments. Such compounds are often of interest in medicinal chemistry and materials science due to their potential biological activity and utility in synthesizing more complex molecules. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization. Overall, this compound represents a fascinating example of how structural variations can lead to diverse chemical behaviors and applications.

Formula: C₁₇H₁₄O₃S

InChI: InChI=1S/C17H14O3S/c18-17(19)16-14(13-8-4-5-9-15(13)20-16)11-21-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)

InChI key: InChIKey=JWTQNYOHZGHMMU-UHFFFAOYSA-N

SMILES: C(SCC1=CC=CC=C1)C=2C=3C(OC2C(O)=O)=CC=CC3

Synonyms:

• 3-Benzylsulfanylmethyl-benzofuran-2-carboxylic acid
• 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
• 2-Benzofurancarboxylic acid, 3-[[(phenylmethyl)thio]methyl]-
• 3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid

3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

CAS: 565174-28-9

Versatile small molecule scaffold

Formula: C₁₇H₁₄O₃S

Purity: Min. 95%

Molecular weight: 298.4 g/mol

Ref: 3D-QXA17428