CAS 115505-06-1

4-[2-(Ethylthio)acetyl]benzonitrile

Description:

4-[2-(Ethylthio)acetyl]benzonitrile, identified by its CAS number 115505-06-1, is an organic compound characterized by its unique functional groups and structural features. It contains a benzonitrile moiety, which is a benzene ring substituted with a nitrile group, and an ethylthioacetyl group, indicating the presence of both an ethylthio and an acetyl functional group. This compound is likely to exhibit moderate polarity due to the presence of the nitrile and thioether functionalities, which can influence its solubility in various solvents. The ethylthio group may impart specific reactivity, making it useful in synthetic organic chemistry. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical research. Its melting and boiling points, as well as its stability under various conditions, would depend on the specific molecular interactions and the environment in which it is placed. Overall, 4-[2-(Ethylthio)acetyl]benzonitrile represents a versatile structure with potential applications in chemical synthesis and medicinal chemistry.

Formula: C₁₁H₁₁NOS

InChI: InChI=1S/C11H11NOS/c1-2-14-8-11(13)10-5-3-9(7-12)4-6-10/h3-6H,2,8H2,1H3

InChI key: InChIKey=RIHYJARYAVCCMU-UHFFFAOYSA-N

SMILES: C(CSCC)(=O)C1=CC=C(C#N)C=C1

Synonyms:

• Benzonitrile, 4-[2-(ethylthio)acetyl]-
• 2-(Ethylthio)-4′-cyanoacetophenone
• 4-[2-(Ethylthio)acetyl]benzonitrile
• Benzonitrile, 4-[(ethylthio)acetyl]-