CAS 898780-89-7

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

Description:

3-[3-(4-methylsulfanylphenyl)propanoyl]benzonitrile, with the CAS number 898780-89-7, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 4-methylsulfanylphenyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for engaging in electrophilic aromatic substitution reactions. The presence of the nitrile functional group suggests it may exhibit polar characteristics, influencing its solubility in various solvents. Additionally, the methylsulfanyl group can impart unique electronic and steric effects, potentially affecting the compound's reactivity and interactions with biological targets. Such compounds are often of interest in medicinal chemistry and material science due to their potential applications in drug development and as intermediates in organic synthesis. Overall, the specific characteristics, including melting point, boiling point, and spectral data, would require empirical determination or literature reference for precise values.

Formula: C₁₇H₁₅NOS

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

SMILES: CSc1ccc(cc1)CCC(=O)c1cccc(c1)C#N

3′-cyano-3-(4-thiomethylphenyl)propiophenone

CAS: 898780-89-7

Formula: C₁₇H₁₅NOS

Purity: 97.0%

Molecular weight: 281.37

Ref: 10-F205996