CAS 898781-73-2

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

Description:

1-Propanone, 1-(3,4-dichlorophenyl)-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 3,4-dichlorophenyl group and a 4-(methylthio)phenyl group. The presence of chlorine atoms introduces electronegative elements that can influence the compound's reactivity and polarity, while the methylthio group can enhance its solubility in organic solvents. The molecular structure suggests potential applications in pharmaceuticals or agrochemicals, given the presence of functional groups that may interact with biological systems. Additionally, the compound's properties, such as boiling point, melting point, and solubility, would be influenced by the steric and electronic effects of the substituents. Safety and handling considerations are essential, as with many organic compounds, particularly those with halogenated groups, which may pose environmental and health risks. Overall, this compound exemplifies the complexity and diversity of organic chemistry, particularly in the design of molecules with specific functional characteristics.

Formula: C₁₆H₁₄Cl₂OS

InChI: InChI=1/C16H14Cl2OS/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,4,9H2,1H3

InChI key: InChIKey=WWSXIOVWESEBJP-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(3,4-dichlorophenyl)-3-[4-(methylthio)phenyl]-