CAS 898781-54-9

2-[2-(thiomorpholinomethyl)benzoyl]benzonitrile

Description:

2-[2-(Thiomorpholinomethyl)benzoyl]benzonitrile, with the CAS number 898781-54-9, is a chemical compound characterized by its complex structure that includes a benzoyl group and a benzonitrile moiety. This compound features a thiomorpholine ring, which contributes to its unique properties, including potential biological activity. The presence of the thiomorpholine group may enhance solubility and influence the compound's interaction with biological targets. The compound is likely to exhibit moderate to high lipophilicity due to its aromatic components, which can affect its pharmacokinetic properties. Additionally, the nitrile functional group may impart specific reactivity and stability characteristics. As with many compounds containing heterocycles and functional groups, it may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₉H₁₈N₂OS

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

InChI key: InChIKey=OIKXSZIHOOSWDY-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 2-[2-(4-thiomorpholinylmethyl)benzoyl]-
• 2-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile