CAS 845790-39-8

5-[4-(ethylsulfanyl)phenyl]-5-oxopentanoic acid

Description:

5-[4-(Ethylsulfanyl)phenyl]-5-oxopentanoic acid, with the CAS number 845790-39-8, is an organic compound characterized by its unique structure that includes a pentanoic acid backbone with a ketone functional group and an ethylsulfanyl substituent on a phenyl ring. This compound typically exhibits properties associated with both acidic and aromatic functionalities, making it potentially useful in various chemical applications, including pharmaceuticals and organic synthesis. The presence of the ethylsulfanyl group may impart specific reactivity and solubility characteristics, influencing its behavior in chemical reactions and interactions with biological systems. Additionally, the compound's molecular structure suggests it may participate in hydrogen bonding due to the carboxylic acid group, which can affect its physical properties such as melting point and solubility in polar solvents. Overall, the unique combination of functional groups in this compound contributes to its potential utility in research and industrial applications.

Formula: C₁₃H₁₆O₃S

InChI: InChI=1/C13H16O3S/c1-2-17-11-8-6-10(7-9-11)12(14)4-3-5-13(15)16/h6-9H,2-5H2,1H3,(H,15,16)

SMILES: CCSc1ccc(cc1)C(=O)CCCC(=O)O

Synonyms:

• Benzenepentanoic acid, 4-(ethylthio)-delta-oxo-
• 5-[4-(Ethylsulfanyl)phenyl]-5-oxopentanoic acid