CAS 951893-07-5

2-(Ethylthio)-α,α-dimethyl-γ-oxobenzenebutanoic acid

Description:

2-(Ethylthio)-α,α-dimethyl-γ-oxobenzenebutanoic acid, with the CAS number 951893-07-5, is a chemical compound that belongs to the class of organic compounds known as benzenebutanoic acids. This substance features a complex structure characterized by the presence of an ethylthio group, which contributes to its unique chemical properties. The compound contains a γ-oxobutanoic acid moiety, indicating the presence of a ketone functional group adjacent to a carboxylic acid. The α,α-dimethyl substitution suggests steric hindrance, which can influence its reactivity and interactions with biological systems. Typically, compounds of this nature may exhibit various biological activities, making them of interest in pharmaceutical research. Additionally, the presence of sulfur in the ethylthio group can impart distinct electronic properties, potentially affecting the compound's solubility and stability. Overall, the characteristics of this compound make it a subject of interest for further study in organic chemistry and medicinal applications.

Formula: C₁₄H₁₈O₃S

InChI: InChI=1S/C14H18O3S/c1-4-18-12-8-6-5-7-10(12)11(15)9-14(2,3)13(16)17/h5-8H,4,9H2,1-3H3,(H,16,17)

InChI key: InChIKey=REQOQNKNHPAVBQ-UHFFFAOYSA-N

SMILES: C(CC(C(O)=O)(C)C)(=O)C1=C(SCC)C=CC=C1

Synonyms:

• Benzenebutanoic acid, 2-(ethylthio)-α,α-dimethyl-γ-oxo-
• 2-(Ethylthio)-α,α-dimethyl-γ-oxobenzenebutanoic acid