CAS 52689-20-0

5-Oxo-1-(phenylmethyl)-2-thioxo-4-imidazolidinepropanoic acid

Description:

5-Oxo-1-(phenylmethyl)-2-thioxo-4-imidazolidinepropanoic acid, with the CAS number 52689-20-0, is a chemical compound that belongs to the class of imidazolidine derivatives. This substance features a unique structure characterized by a five-membered ring containing both nitrogen and sulfur atoms, contributing to its thioxo and oxo functional groups. The presence of a phenylmethyl group enhances its lipophilicity, potentially influencing its biological activity and solubility. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its acidic nature is attributed to the carboxylic acid functional group, which can participate in hydrogen bonding and ionic interactions. The compound's stability, reactivity, and potential applications in drug development or as a biochemical probe can be influenced by its structural features. However, specific details regarding its biological activity, synthesis, and practical applications would require further investigation and research.

Formula: C₁₃H₁₄N₂O₃S

InChI: InChI=1/C13H14N2O3S/c16-11(17)7-6-10-12(18)15(13(19)14-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,16,17)

InChI key: InChIKey=KADCBAPDPZQMFI-UHFFFAOYSA-N

SMILES: C(N1C(=O)C(CCC(O)=O)NC1=S)C2=CC=CC=C2

Synonyms:

• 4-Imidazolidinepropanoic acid, 2-oxo-1-(phenylmethyl)-2-thioxo-
• 4-Imidazolidinepropanoic acid, 5-oxo-1-(phenylmethyl)-2-thioxo-
• 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-yl)propanoic acid
• 4-Imidazolidinepropanoic acid, 2-oxo-1-(phenylmethyl)-2-thioxo-, (±)-
• 5-Oxo-1-(phenylmethyl)-2-thioxo-4-imidazolidinepropanoic acid

3-(1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)propanoic acid

CAS: 52689-20-0

Formula: C₁₃H₁₄N₂O₃S

Purity: 95.0%

Molecular weight: 278.33

Ref: 10-F315038