CAS 898762-88-4

4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile

Description:

4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile, with the CAS number 898762-88-4, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzoyl group and a benzonitrile moiety. The presence of a thiomorpholine ring contributes to its unique chemical properties, potentially influencing its solubility, reactivity, and biological activity. This compound may exhibit specific interactions due to the thiomorpholine's nitrogen and sulfur atoms, which can participate in hydrogen bonding and coordination with metal ions. Its benzoyl and benzonitrile groups suggest potential applications in pharmaceuticals, particularly in drug design, where such structures are often explored for their ability to modulate biological targets. The compound's stability, reactivity, and potential toxicity would depend on various factors, including environmental conditions and the presence of other reactive species. As with many synthetic compounds, understanding its characteristics requires thorough investigation through experimental studies and computational modeling to elucidate its behavior in different chemical contexts.

Formula: C₁₉H₁₈N₂OS

InChI: InChI=1S/C19H18N2OS/c20-13-15-4-6-17(7-5-15)19(22)18-3-1-2-16(12-18)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2

InChI key: InChIKey=HQXUDMCIEVVXEU-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC(CN2CCSCC2)=CC=C1)C3=CC=C(C#N)C=C3

Synonyms:

• 4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
• Benzonitrile, 4-[3-(4-thiomorpholinylmethyl)benzoyl]-

4′-cyano-3-thiomorpholinomethyl benzophenone

CAS: 898762-88-4

Formula: C₁₉H₁₈N₂OS

Purity: 97.0%

Molecular weight: 322.43

Ref: 10-F204949