CAS 898754-36-4

4-[3-(2-methylsulfanylphenyl)propanoyl]benzonitrile

Description:

4-[3-(2-Methylsulfanylphenyl)propanoyl]benzonitrile, with the CAS number 898754-36-4, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group attached to a phenyl ring. This compound features a methylsulfanyl group, which introduces a sulfur atom into its structure, potentially influencing its reactivity and solubility. The presence of the nitrile functional group (–C≡N) suggests that it may exhibit notable electronic properties, including dipole moments and potential for hydrogen bonding. The compound's molecular structure indicates it may have applications in pharmaceuticals or materials science, particularly due to the presence of the aromatic rings that can contribute to stability and interaction with biological targets. Additionally, the methylsulfanyl group may enhance lipophilicity, affecting its bioavailability. Overall, this compound's unique functional groups and structural characteristics make it a subject of interest for further research in various chemical applications.

Formula: C₁₇H₁₅NOS

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

SMILES: CSc1ccccc1CCC(=O)c1ccc(cc1)C#N