CAS 898779-08-3

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

Description:

1-Propanone, 3-(3,4-dimethylphenyl)-1-[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 distinct aromatic substituents: a 3,4-dimethylphenyl 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 components, 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. Additionally, the presence of multiple functional groups may allow for further chemical modifications, enhancing its utility in synthetic chemistry. Overall, this compound exemplifies the complexity and diversity of organic molecules in terms of structure and potential applications.

Formula: C₁₈H₂₀OS

InChI: InChI=1S/C18H20OS/c1-13-8-9-15(12-14(13)2)10-11-17(19)16-6-4-5-7-18(16)20-3/h4-9,12H,10-11H2,1-3H3

InChI key: InChIKey=VWDLQGCQIRZNHS-UHFFFAOYSA-N

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

Synonyms:

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

3-(3,4-dimethylphenyl)-2′-thiomethylpropiophenone

CAS: 898779-08-3

Formula: C₁₈H₂₀OS

Purity: 97.0%

Molecular weight: 284.42

Ref: 10-F206584