CAS 1443342-99-1

Ethyl 2-[(3-chloro-5-fluorophenyl)thio]-2-oxoacetate

Description:

Ethyl 2-[(3-chloro-5-fluorophenyl)thio]-2-oxoacetate is a chemical compound characterized by its unique functional groups and structural features. It contains an ethyl ester group, a thioether linkage, and a ketone functionality, which contribute to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the 3-chloro-5-fluorophenyl moiety suggests that the compound may exhibit interesting biological activities, possibly due to the electron-withdrawing effects of the chlorine and fluorine substituents. This compound is likely to be a solid or liquid at room temperature, depending on its molecular weight and intermolecular interactions. Its solubility in organic solvents, such as ethanol or dichloromethane, is expected, while its solubility in water may be limited due to the hydrophobic nature of the aromatic ring. As with many chemical substances, safety precautions should be taken when handling this compound, as it may pose health risks or environmental hazards.

Formula: C₁₀H₈ClFO₃S

InChI: InChI=1S/C10H8ClFO3S/c1-2-15-9(13)10(14)16-8-4-6(11)3-7(12)5-8/h3-5H,2H2,1H3

InChI key: InChIKey=IUHWVOPAIYNTGS-UHFFFAOYSA-N

SMILES: S(C(C(OCC)=O)=O)C1=CC(Cl)=CC(F)=C1

Synonyms:

• Acetic acid, 2-[(3-chloro-5-fluorophenyl)thio]-2-oxo-, ethyl ester
• Ethyl 2-[(3-chloro-5-fluorophenyl)thio]-2-oxoacetate