CAS 845823-09-8

1-[4-(Ethylthio)phenyl]-2,2,2-trifluoroethanone

Description:

1-[4-(Ethylthio)phenyl]-2,2,2-trifluoroethanone, with the CAS number 845823-09-8, is an organic compound characterized by its unique functional groups and molecular structure. It features a trifluoroethanone moiety, which contributes to its reactivity and potential applications in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals. The presence of the ethylthio group enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. This compound is likely to exhibit moderate stability under standard conditions but may be sensitive to strong bases or nucleophiles due to the electrophilic nature of the carbonyl group. Its trifluoromethyl group can impart unique electronic properties, making it a valuable building block in medicinal chemistry. Additionally, the compound's aromatic ring may participate in π-π stacking interactions, which can be relevant in biological systems or material science applications. Overall, 1-[4-(Ethylthio)phenyl]-2,2,2-trifluoroethanone is a versatile compound with potential utility in various fields of research and industry.

Formula: C₁₀H₉F₃OS

InChI: InChI=1S/C10H9F3OS/c1-2-15-8-5-3-7(4-6-8)9(14)10(11,12)13/h3-6H,2H2,1H3

InChI key: InChIKey=PZELFQVSBHVSAQ-UHFFFAOYSA-N

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

Synonyms:

• 1-[4-(Ethylsulfanyl)phenyl]-2,2,2-trifluoroethan-1-one
• Ethanone, 1-[4-(ethylthio)phenyl]-2,2,2-trifluoro-
• 1-[4-(Ethylthio)phenyl]-2,2,2-trifluoroethanone
• 1-(4-Ethylsulfanylphenyl)-2,2,2-trifluoroethanone

4′-Ethylthio-2,2,2-trifluoroacetophenone

CAS: 845823-09-8

Formula: C₁₀H₉F₃OS

Purity: 97.0%

Color and Shape: Solid

Molecular weight: 234.24

Ref: 10-F023146