CAS 898781-27-6

1-Propanone, 1-(2,5-dimethylphenyl)-3-[4-(methylthio)phenyl]-

Description:

1-Propanone, 1-(2,5-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 2,5-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 physical properties. Typically, compounds of this nature exhibit moderate to high lipophilicity due to their aromatic components, which can affect their solubility in various solvents. The molecular structure suggests potential applications in organic synthesis, pharmaceuticals, or as intermediates in chemical reactions. Additionally, the presence of multiple functional groups may lead to interesting chemical behavior, including potential for electrophilic substitution reactions. Safety and handling considerations should be taken into account, as with many organic compounds, due to potential toxicity or reactivity.

Formula: C₁₈H₂₀OS

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

InChI key: InChIKey=YEXFRPJBOFDIBE-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(2,5-dimethylphenyl)-3-[4-(methylthio)phenyl]-
• 1-(2,5-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone