CAS 898754-33-1

3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

Description:

3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile, with the CAS number 898754-33-1, is a synthetic organic compound characterized by its complex molecular structure. It features a benzonitrile core, which is a benzene ring substituted with a nitrile group, contributing to its potential reactivity and solubility properties. The presence of a methylthio group indicates that the compound may exhibit unique electronic and steric properties, influencing its interactions in chemical reactions. The oxopropyl moiety suggests the presence of a carbonyl group, which can participate in various chemical transformations, such as nucleophilic additions. This compound may be of interest in medicinal chemistry due to its potential biological activity, as many compounds with similar structures have been investigated for therapeutic applications. Its physical properties, such as solubility, melting point, and stability, would depend on the specific interactions of its functional groups and overall molecular conformation. Further studies would be necessary to fully elucidate its characteristics and potential applications in various fields, including pharmaceuticals and materials science.

Formula: C₁₇H₁₅NOS

InChI: InChI=1S/C17H15NOS/c1-20-17-8-3-2-6-14(17)9-10-16(19)15-7-4-5-13(11-15)12-18/h2-8,11H,9-10H2,1H3

InChI key: InChIKey=HBTIPVLKFYJUMC-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC(C#N)=CC=C1)C2=C(SC)C=CC=C2

Synonyms:

• 3-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile
• Benzonitrile, 3-[3-[2-(methylthio)phenyl]-1-oxopropyl]-