CAS 898781-03-8

1-(3-Bromophenyl)-3-[4-(methylthio)phenyl]-1-propanone

Description:

1-(3-Bromophenyl)-3-[4-(methylthio)phenyl]-1-propanone, with the CAS number 898781-03-8, is an organic compound characterized by its complex structure featuring a propanone backbone. This compound contains a bromophenyl group and a methylthio-substituted phenyl group, contributing to its unique chemical properties. The presence of the bromine atom introduces significant electronegativity, which can influence the compound's reactivity and interaction with other molecules. The methylthio group enhances the compound's lipophilicity, potentially affecting its solubility in organic solvents. As a ketone, it exhibits typical reactivity associated with carbonyl compounds, such as nucleophilic addition and condensation reactions. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activity and utility in synthesizing other complex organic molecules. However, specific safety and handling guidelines should be followed, as with all chemical substances, to mitigate any associated risks.

Formula: C₁₆H₁₅BrOS

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

InChI key: InChIKey=SXMFFEJNJLKDGN-UHFFFAOYSA-N

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

Synonyms:

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