CAS 898781-06-1

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

Description:

1-Propanone, 1-(4-bromophenyl)-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 4-bromophenyl group and a 4-(methylthio)phenyl group. The presence of the bromine atom introduces notable electrophilic properties, while the methylthio group can influence the compound's reactivity and solubility. The molecular structure suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its physical properties, such as boiling point, melting point, and solubility, would depend on the specific interactions between the aromatic rings and the ketone group. Additionally, the compound's reactivity may be influenced by the electron-withdrawing nature of the bromine and the electron-donating properties of the methylthio group, making it a candidate for various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions.

Formula: C₁₆H₁₅BrOS

InChI: InChI=1S/C16H15BrOS/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,4,11H2,1H3

InChI key: InChIKey=XJJWACAKGRLUDI-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Bromophenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• 1-Propanone, 1-(4-bromophenyl)-3-[4-(methylthio)phenyl]-