CAS 898777-84-9

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

Description:

1-Propanone, 1-[4-(methylthio)phenyl]-3-(3,4,5-trifluorophenyl)-, also known by its CAS number 898777-84-9, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with a phenyl group substituted at the first position, which is further substituted with a methylthio group at the para position. Additionally, at the third position of the propanone, there is a phenyl ring that is heavily substituted with three fluorine atoms, indicating a trifluorophenyl group. The presence of these functional groups suggests that the compound may exhibit unique chemical reactivity and physical properties, such as increased lipophilicity due to the trifluoromethyl groups and potential biological activity due to the methylthio substitution. The compound's structure may influence its solubility, boiling point, and reactivity in various chemical reactions. As with many organic compounds, safety data and handling precautions should be considered, especially due to the presence of fluorinated groups, which can affect environmental and health profiles.

Formula: C₁₆H₁₃F₃OS

InChI: InChI=1S/C16H13F3OS/c1-21-12-5-3-11(4-6-12)15(20)7-2-10-8-13(17)16(19)14(18)9-10/h3-6,8-9H,2,7H2,1H3

InChI key: InChIKey=BLMXXPIEQJLQOW-UHFFFAOYSA-N

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

Synonyms:

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