CAS 951888-92-9

Ethyl 2-(methylthio)-α-oxobenzeneacetate

Description:

Ethyl 2-(methylthio)-α-oxobenzeneacetate, identified by its CAS number 951888-92-9, is an organic compound characterized by its ester functional group and the presence of a methylthio group. This compound typically exhibits a molecular structure that includes a benzene ring, which contributes to its aromatic properties, and an α-oxobenzeneacetate moiety that suggests potential reactivity in various chemical reactions. The methylthio group enhances its chemical properties, potentially influencing its solubility and reactivity. Ethyl 2-(methylthio)-α-oxobenzeneacetate may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its unique structural features. Its physical properties, such as boiling point, melting point, and solubility, would depend on the specific conditions and purity of the compound. As with many organic compounds, safety precautions should be observed when handling this substance, as it may pose health risks or environmental hazards.

Formula: C₁₁H₁₂O₃S

InChI: InChI=1S/C11H12O3S/c1-3-14-11(13)10(12)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3

InChI key: InChIKey=ZHFMXXKGUGBAFU-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, 2-(methylthio)-α-oxo-, ethyl ester
• Ethyl 2-(methylthio)-α-oxobenzeneacetate