CAS 898781-30-1

1-Propanone, 1-(2,6-dimethylphenyl)-3-[4-(methylthio)phenyl]-

Description:

1-Propanone, 1-(2,6-dimethylphenyl)-3-[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 2,6-dimethylphenyl group and a 4-(methylthio)phenyl group. The presence of the methylthio group introduces sulfur into the molecular structure, potentially affecting its reactivity and solubility. The compound is likely to be a solid or liquid at room temperature, depending on its molecular weight and intermolecular interactions. Its aromatic rings contribute to stability and may influence its electronic properties, making it of interest in various chemical applications, including organic synthesis and materials science. Additionally, the presence of multiple functional groups suggests potential for diverse reactivity, including electrophilic substitution and nucleophilic addition reactions. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or reactivity.

Formula: C₁₈H₂₀OS

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

InChI key: InChIKey=MXZFCULUWUBTMB-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(SC)C=C1)(=O)C2=C(C)C=CC=C2C

Synonyms:

• 1-Propanone, 1-(2,6-dimethylphenyl)-3-[4-(methylthio)phenyl]-
• 1-(2,6-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone