CAS 76075-15-5

Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

Description:

Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate, identified by its CAS number 76075-15-5, is a chemical compound that features a thioxo group and an imidazole ring, which contributes to its unique reactivity and properties. This compound typically exhibits characteristics common to thioxo-imidazole derivatives, such as potential biological activity, including antimicrobial or antifungal properties. The presence of the phenylmethyl group may enhance its lipophilicity, influencing its solubility and interaction with biological membranes. Additionally, the ester functional group (methyl ester) suggests that it may undergo hydrolysis under certain conditions, releasing methanol and forming the corresponding carboxylic acid. The compound's structure allows for various synthetic modifications, making it of interest in medicinal chemistry and drug development. Overall, its unique structural features and potential biological activities make it a subject of interest for further research in the fields of organic and medicinal chemistry.

Formula: C₁₂H₁₂N₂O₂S

InChI: InChI=1/C12H12N2O2S/c1-16-11(15)10-7-13-12(17)14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,17)

InChI key: InChIKey=FWTOEPHWNFXPPZ-UHFFFAOYSA-N

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

Synonyms:

• 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-(phenylmethyl)-2-thioxo-, methyl ester
• NSC 91544
• methyl 1-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-5-carboxylate
• methyl 3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate
• Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

Methyl 3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate

CAS: 76075-15-5

Formula: C₁₂H₁₂N₂O₂S

Molecular weight: 248.3009

Ref: IN-DA008ONC