CAS 1146290-22-3

3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid

Description:

3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid, with the CAS number 1146290-22-3, is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety and an imidazole ring substituted with a methylthio group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups. The methylthio group can influence the compound's electronic properties and may enhance its lipophilicity, affecting its biological activity. The imidazole ring is known for its role in various biochemical processes, making this compound of interest in medicinal chemistry and pharmacology. Additionally, the presence of the carboxylic acid functional group suggests potential for hydrogen bonding and interactions with biological targets. Overall, this compound's structural features may contribute to its utility in research and development, particularly in the fields of drug design and synthesis.

Formula: C₁₁H₁₀N₂O₂S

InChI: InChI=1S/C11H10N2O2S/c1-16-11-12-5-6-13(11)9-4-2-3-8(7-9)10(14)15/h2-7H,1H3,(H,14,15)

InChI key: InChIKey=HJYFTERKJKJIDX-UHFFFAOYSA-N

SMILES: S(C)C=1N(C2=CC(C(O)=O)=CC=C2)C=CN1

Synonyms:

• 3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid
• Benzoic acid, 3-[2-(methylthio)-1H-imidazol-1-yl]-