CAS 763109-74-6

5-[4-(Methylthio)phenyl]-3-isoxazolecarboxylic acid

Description:

5-[4-(Methylthio)phenyl]-3-isoxazolecarboxylic acid, with the CAS number 763109-74-6, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a carboxylic acid functional group, contributing to its acidic properties and potential reactivity in various chemical reactions. The presence of a methylthio group attached to a phenyl ring enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. The isoxazole moiety is known for its applications in medicinal chemistry, often exhibiting anti-inflammatory and analgesic properties. The compound's structural characteristics suggest it may interact with biological targets, making it of interest in pharmaceutical research. Additionally, its unique functional groups may allow for further derivatization, expanding its utility in synthetic chemistry. Overall, this compound exemplifies the intersection of organic synthesis and biological activity, warranting further investigation into its potential applications.

Formula: C₁₁H₉NO₃S

InChI: InChI=1S/C11H9NO3S/c1-16-8-4-2-7(3-5-8)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)

InChI key: InChIKey=COJFDXBUKAUVFI-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C(ON1)C2=CC=C(SC)C=C2

Synonyms:

• 3-Isoxazolecarboxylic acid, 5-[4-(methylthio)phenyl]-
• 5-[4-(Methylthio)phenyl]-3-isoxazolecarboxylic acid