CAS 25803-71-8

2-[(2-Oxo-2-phenylethyl)thio]benzoic acid

Description:

2-[(2-Oxo-2-phenylethyl)thio]benzoic acid, with the CAS number 25803-71-8, is an organic compound characterized by its unique structure that includes a benzoic acid moiety and a thioether linkage. This compound features a phenyl group attached to a carbonyl group, which is further connected to a benzoic acid via a sulfur atom. The presence of the thioether functional group imparts specific reactivity and solubility characteristics, making it of interest in various chemical applications, including pharmaceuticals and organic synthesis. The compound is likely to exhibit moderate to high lipophilicity due to the aromatic rings, which can influence its biological activity and interaction with other molecules. Additionally, the carboxylic acid group contributes to its acidity and potential for forming salts or esters. Overall, 2-[(2-Oxo-2-phenylethyl)thio]benzoic acid is a versatile compound with potential applications in medicinal chemistry and material science.

Formula: C₁₅H₁₂O₃S

InChI: InChI=1S/C15H12O3S/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2,(H,17,18)

InChI key: InChIKey=BLEPSDUOWLSFPI-UHFFFAOYSA-N

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

Synonyms:

• 2-[(2-Oxo-2-phenylethyl)thio]benzoic acid
• Benzoic acid, 2-[(2-oxo-2-phenylethyl)thio]-
• 2-Phenacylsulfanylbenzoic acid
• Benzoic acid, o-(phenacylthio)-
• 2-[(2-Oxo-2-phenylethyl)sulfanyl]benzoic acid

2-[(2-oxo-2-phenylethyl)thio]benzoic acid

CAS: 25803-71-8

Formula: C₁₅H₁₂O₃S

Purity: 95.0%

Molecular weight: 272.32

Ref: 10-F375300