CAS 898780-44-4

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

Description:

1-Propanone, 3-(3,5-dimethylphenyl)-1-[4-(methylthio)phenyl]- 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 3,5-dimethylphenyl group and a 4-(methylthio)phenyl group. The presence of the methylthio group introduces sulfur into the molecular structure, which can influence the compound's reactivity and solubility. Typically, compounds of this nature exhibit moderate to high lipophilicity due to their aromatic character, which can affect their behavior in biological systems and their potential applications in pharmaceuticals or materials science. The molecular structure suggests potential for various interactions, including π-π stacking and dipole-dipole interactions, which may be relevant in contexts such as drug design or organic synthesis. As with many organic compounds, safety and handling precautions should be observed, particularly due to the presence of sulfur and the potential for reactivity associated with the ketone group.

Formula: C₁₈H₂₀OS

InChI: InChI=1/C18H20OS/c1-13-10-14(2)12-15(11-13)4-9-18(19)16-5-7-17(20-3)8-6-16/h5-8,10-12H,4,9H2,1-3H3

InChI key: InChIKey=VCAVUZJECAKLOA-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 3-(3,5-dimethylphenyl)-1-[4-(methylthio)phenyl]-
• 3-(3,5-DIMETHYLPHENYL)-4'-THIOMETHYLPROPIOPHENONE