CAS 166831-66-9

Ethanone, 2,2,2-trifluoro-1-[3-(methylthio)phenyl]- (9CI)

Description:

Ethanone, 2,2,2-trifluoro-1-[3-(methylthio)phenyl]- (9CI), with the CAS number 166831-66-9, is an organic compound characterized by its unique molecular structure that includes a trifluoroethyl group and a methylthio-substituted phenyl ring. This compound is part of the ketone family, featuring a carbonyl group (C=O) that contributes to its reactivity and potential applications in various chemical reactions. The presence of trifluoromethyl groups enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The methylthio group introduces additional steric and electronic effects, which can affect the compound's interaction with biological targets. Typically, such compounds may exhibit properties like volatility and solubility in organic solvents, while their stability can vary based on environmental conditions. Overall, the unique combination of functional groups in this compound suggests potential utility in synthetic chemistry and medicinal applications, although specific properties such as boiling point, melting point, and reactivity would require empirical data for precise characterization.

Formula: C₉H₇F₃OS

InChI: InChI=1S/C9H7F3OS/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3

InChI key: InChIKey=NAUFBIYCPREGRE-UHFFFAOYSA-N

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

3′-(Methylthio)-2,2,2-trifluoroacetophenone

CAS: 166831-66-9

Formula: C₉H₇F₃OS

Purity: ≥95%

Color and Shape: Liquid, No data available.

Molecular weight: 220.21

Ref: 10-F396318