CAS 898754-23-9

1-Propanone, 1-(4-methylphenyl)-3-[2-(methylthio)phenyl]-

Description:

1-Propanone, 1-(4-methylphenyl)-3-[2-(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 aromatic substituents: a para-methylphenyl group and a 2-(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 the context of drug design or synthesis. As with many organic compounds, safety and handling precautions should be observed, particularly regarding inhalation or skin contact, due to potential toxicity associated with the aromatic and sulfur-containing groups.

Formula: C₁₇H₁₈OS

InChI: InChI=1S/C17H18OS/c1-13-7-9-14(10-8-13)16(18)12-11-15-5-3-4-6-17(15)19-2/h3-10H,11-12H2,1-2H3

InChI key: InChIKey=YXOMDCFHLWKLQK-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(4-methylphenyl)-3-[2-(methylthio)phenyl]-
• 1-(4-Methylphenyl)-3-[2-(methylsulfanyl)phenyl]-1-propanone