CAS 861207-90-1

3-(3-Chloro-4-methoxyphenyl)-2-(phenylsulfonyl)-2-propenenitrile

Description:

3-(3-Chloro-4-methoxyphenyl)-2-(phenylsulfonyl)-2-propenenitrile, with the CAS number 861207-90-1, is an organic compound characterized by its complex structure, which includes a propenenitrile moiety, a chloro-substituted methoxyphenyl group, and a phenylsulfonyl group. This compound typically exhibits properties such as moderate to high lipophilicity due to the presence of aromatic rings, which can influence its solubility in organic solvents. The presence of the nitrile functional group suggests potential reactivity, particularly in nucleophilic addition reactions. Additionally, the sulfonyl group may enhance the compound's stability and reactivity, making it a candidate for various chemical transformations. Its unique structure may also confer biological activity, making it of interest in medicinal chemistry and drug development. However, specific physical properties such as melting point, boiling point, and spectral data would require experimental determination or literature reference for precise characterization. Overall, this compound represents a class of synthetic organic molecules with potential applications in pharmaceuticals and agrochemicals.

Formula: C₁₆H₁₂ClNO₃S

InChI: InChI=1S/C16H12ClNO3S/c1-21-16-8-7-12(10-15(16)17)9-14(11-18)22(19,20)13-5-3-2-4-6-13/h2-10H,1H3

InChI key: InChIKey=AVRROKCUUSYXJR-UHFFFAOYSA-N

SMILES: S(C(=CC1=CC(Cl)=C(OC)C=C1)C#N)(=O)(=O)C2=CC=CC=C2

Synonyms:

• 3-(3-Chloro-4-methoxyphenyl)-2-(phenylsulfonyl)-2-propenenitrile
• 2-Propenenitrile, 3-(3-chloro-4-methoxyphenyl)-2-(phenylsulfonyl)-