CAS 898780-91-1

4-[3-[4-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

Description:

4-[3-[4-(Methylthio)phenyl]-1-oxopropyl]benzonitrile, with the CAS number 898780-91-1, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propyl chain substituted with a methylthio group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions due to the presence of functional groups. The methylthio group can influence the compound's reactivity and solubility, while the nitrile group may impart polar characteristics, affecting its interactions in different solvents. Additionally, the presence of multiple aromatic rings suggests potential for π-π stacking interactions, which can be significant in biological systems or material applications. The compound may also exhibit biological activity, making it of interest in pharmaceutical research. Overall, its unique structural features contribute to its potential utility in various chemical and biological contexts.

Formula: C₁₇H₁₅NOS

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

InChI key: InChIKey=KSBWQPGTSQJARM-UHFFFAOYSA-N

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

Synonyms:

• 4-[3-[4-(Methylthio)phenyl]-1-oxopropyl]benzonitrile
• Benzonitrile, 4-[3-[4-(methylthio)phenyl]-1-oxopropyl]-

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

CAS: 898780-91-1

Formula: C₁₇H₁₅NOS

Purity: 97.0%

Molecular weight: 281.37

Ref: 10-F205997