CAS 1142209-64-0

2-[[[5-[[(4-Methylphenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methyl]thio]acetic acid

Description:

2-[[[5-[[(4-Methylphenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methyl]thio]acetic acid is a complex organic compound characterized by its unique structural features, including a thiadiazole ring and a thioether linkage. The presence of the 4-methylphenyl group suggests potential aromatic interactions, while the carboxylic acid functional group indicates acidic properties. This compound may exhibit biological activity due to the presence of the thiadiazole moiety, which is often associated with pharmacological properties. Its molecular structure implies potential solubility in organic solvents, and it may participate in various chemical reactions typical of carboxylic acids and thiols. The compound's specific reactivity and stability would depend on environmental conditions such as pH and temperature. Additionally, its synthesis and applications could be relevant in medicinal chemistry or materials science, given the functional groups present. Overall, this compound represents a class of molecules that may have significant implications in research and development within the chemical and pharmaceutical industries.

Formula: C₁₃H₁₃N₃O₃S₂

InChI: InChI=1S/C13H13N3O3S2/c1-8-2-4-9(5-3-8)14-12(19)13-16-15-10(21-13)6-20-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)

InChI key: InChIKey=HIONPDKCQKGNOO-UHFFFAOYSA-N

SMILES: C(NC1=CC=C(C)C=C1)(=O)C=2SC(CSCC(O)=O)=NN2

Synonyms:

• 2-[[[5-[[(4-Methylphenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methyl]thio]acetic acid
• Acetic acid, 2-[[[5-[[(4-methylphenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methyl]thio]-