CAS 956411-89-5

2-[[(4-Methyl-2,5-dioxo-4-imidazolidinyl)methyl]thio]benzoic acid

Description:

2-[[(4-Methyl-2,5-dioxo-4-imidazolidinyl)methyl]thio]benzoic acid, identified by its CAS number 956411-89-5, is a chemical compound that features a benzoic acid moiety linked to a thioether group, which is further connected to an imidazolidine derivative. This compound exhibits characteristics typical of both aromatic and heterocyclic compounds, contributing to its potential biological activity. The presence of the dioxo-imidazolidinyl structure suggests that it may participate in various chemical reactions, including nucleophilic substitutions and redox processes. Additionally, the thioether linkage can influence its solubility and reactivity, making it a candidate for applications in medicinal chemistry or as a synthetic intermediate. The carboxylic acid functional group is likely to impart acidic properties, affecting its behavior in biological systems and its interaction with other molecules. Overall, this compound's unique structural features may provide insights into its potential uses in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.

Formula: C₁₂H₁₂N₂O₄S

InChI: InChI=1S/C12H12N2O4S/c1-12(10(17)13-11(18)14-12)6-19-8-5-3-2-4-7(8)9(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,18)

InChI key: InChIKey=PNBKVPJQBCUEBV-UHFFFAOYSA-N

SMILES: S(CC1(C)NC(=O)NC1=O)C2=C(C(O)=O)C=CC=C2

Synonyms:

• 2-[[(4-Methyl-2,5-dioxo-4-imidazolidinyl)methyl]thio]benzoic acid
• Benzoic acid, 2-[[(4-methyl-2,5-dioxo-4-imidazolidinyl)methyl]thio]-