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CAS 898780-87-5

:

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

Description:
2-[3-(4-Methylsulfanylphenyl)propanoyl]benzonitrile, identified by its CAS number 898780-87-5, is an organic compound characterized by its complex 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 pi-stacking interactions due to its conjugated system. The presence of the nitrile functional group contributes to its polarity and potential reactivity, while the methylsulfanyl group may influence its solubility and biological activity. The compound may be of interest in medicinal chemistry, particularly for its potential applications in drug development or as a synthetic intermediate. Its specific physical and chemical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally or sourced from reliable databases for precise applications. Overall, this compound represents a unique structure that could be explored for various chemical and pharmaceutical applications.
Formula:C17H15NOS
InChI:InChI=1/C17H15NOS/c1-20-15-9-6-13(7-10-15)8-11-17(19)16-5-3-2-4-14(16)12-18/h2-7,9-10H,8,11H2,1H3
SMILES:CSc1ccc(cc1)CCC(=O)c1ccccc1C#N
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