CAS 899016-21-8

4-{[2-(methylsulfanyl)phenyl]amino}-4-oxobutanoic acid

Description:

4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid, with the CAS number 899016-21-8, is an organic compound characterized by its unique molecular structure, which includes a butanoic acid backbone substituted with an amino group and a methylsulfanyl phenyl group. This compound features a ketone functional group (4-oxobutanoic acid) and a methylthio group, which can influence its reactivity and solubility. The presence of the amino group suggests potential for hydrogen bonding, which may enhance its solubility in polar solvents. The methylsulfanyl group can impart specific electronic properties, potentially affecting the compound's biological activity. This compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its structural complexity allows for various interactions with biological targets, which could be explored in drug development. Overall, 4-{[2-(methylsulfanyl)phenyl]amino}-4-oxobutanoic acid represents a class of compounds that may have significant applications in pharmaceuticals or agrochemicals.

Formula: C₁₁H₁₃NO₃S

InChI: InChI=1/C11H13NO3S/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)

SMILES: CSc1ccccc1N=C(CCC(=O)O)O

Synonyms:

• Butanoic Acid, 4-[[2-(Methylthio)Phenyl]Amino]-4-Oxo-

4-([2-(Methylthio)phenyl]amino)-4-oxobutanoic acid

CAS: 899016-21-8

Formula: C₁₁H₁₃NO₃S

Molecular weight: 239.2908

Ref: IN-DA00GTQX