CAS 951888-94-1

Ethyl 2-(methylthio)-γ-oxobenzenebutanoate

Description:

Ethyl 2-(methylthio)-γ-oxobenzenebutanoate, with the CAS number 951888-94-1, is an organic compound characterized by its ester functional group, which is typical of many compounds in organic chemistry. This substance features a butanoate backbone, indicating a four-carbon chain, and includes a γ-oxobenzene moiety, suggesting the presence of a ketone group adjacent to a benzene ring. The methylthio group introduces a sulfur atom into the structure, which can influence the compound's reactivity and properties, such as its solubility and potential biological activity. Ethyl esters are generally known for their pleasant odors and are often used in flavoring and fragrance applications. The presence of the methylthio group may also impart unique characteristics, potentially affecting the compound's interaction with biological systems. Overall, this compound's structure suggests it may have applications in pharmaceuticals or agrochemicals, although specific biological activities or uses would require further investigation.

Formula: C₁₃H₁₆O₃S

InChI: InChI=1S/C13H16O3S/c1-3-16-13(15)9-8-11(14)10-6-4-5-7-12(10)17-2/h4-7H,3,8-9H2,1-2H3

InChI key: InChIKey=VEOWSIRENBPFBP-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=C(SC)C=CC=C1

Synonyms:

• Benzenebutanoic acid, 2-(methylthio)-γ-oxo-, ethyl ester
• Ethyl 2-(methylthio)-γ-oxobenzenebutanoate

Ethyl 4-[2-(Methylthio)phenyl]-4-oxobutanoate

CAS: 951888-94-1

Formula: C₁₃H₁₆O₃S

Purity: 97.0%

Molecular weight: 252.33

Ref: 10-F208165