CAS 898781-83-4

1-Propanone, 3-[4-(methylthio)phenyl]-1-(3,4,5-trifluorophenyl)-

Description:

1-Propanone, 3-[4-(methylthio)phenyl]-1-(3,4,5-trifluorophenyl)-, also known by its CAS number 898781-83-4, is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a propanone backbone with two distinct aromatic substituents: a para-methylthio-substituted phenyl group and a trifluorophenyl group, which contributes to its unique chemical properties. The presence of the trifluoromethyl groups enhances its lipophilicity and may influence its reactivity and interaction with biological systems. The methylthio group can also affect the compound's electronic properties and steric hindrance. Typically, compounds of this nature may exhibit interesting biological activities, making them of interest in pharmaceutical research. Additionally, the presence of fluorine atoms often imparts stability and alters the compound's solubility characteristics. Overall, this compound's unique structure suggests potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₆H₁₃F₃OS

InChI: InChI=1S/C16H13F3OS/c1-21-12-5-2-10(3-6-12)4-7-15(20)11-8-13(17)16(19)14(18)9-11/h2-3,5-6,8-9H,4,7H2,1H3

InChI key: InChIKey=NNTRQGBJPFDAAB-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(SC)C=C1)(=O)C2=CC(F)=C(F)C(F)=C2

Synonyms:

• 1-Propanone, 3-[4-(methylthio)phenyl]-1-(3,4,5-trifluorophenyl)-
• 3-[4-(Methylsulfanyl)phenyl]-1-(3,4,5-trifluorophenyl)-1-propanone