CAS 1105188-91-7

1H-Imidazole-1-acetic acid, 2,3-dihydro-5-(4-methylphenyl)-2-thioxo-, methyl ester

Description:

1H-Imidazole-1-acetic acid, 2,3-dihydro-5-(4-methylphenyl)-2-thioxo-, methyl ester is a chemical compound characterized by its imidazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. This compound features an acetic acid moiety, contributing to its potential as a carboxylic acid derivative. The presence of a thioxo group indicates that it contains a sulfur atom double-bonded to a carbon atom, which can influence its reactivity and biological activity. The methyl ester functional group suggests that it can undergo hydrolysis to release the corresponding acid. The 4-methylphenyl substituent adds to the compound's hydrophobic character, potentially affecting its solubility and interaction with biological systems. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Its specific applications and behavior would depend on further studies, including its synthesis, stability, and interactions with biological targets.

Formula: C₁₃H₁₄N₂O₂S

InChI: InChI=1S/C13H14N2O2S/c1-9-3-5-10(6-4-9)11-7-14-13(18)15(11)8-12(16)17-2/h3-7H,8H2,1-2H3,(H,14,18)

InChI key: InChIKey=HJKCQIBEMOIKRX-UHFFFAOYSA-N

SMILES: C(C(OC)=O)N1C(=CNC1=S)C2=CC=C(C)C=C2

Synonyms:

• 1H-Imidazole-1-acetic acid, 2,3-dihydro-5-(4-methylphenyl)-2-thioxo-, methyl ester