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CAS 898781-58-3

:

4-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile

Description:
4-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile, with the CAS number 898781-58-3, is a chemical compound characterized by its complex structure, which includes a benzoyl group and a benzonitrile moiety. The presence of a thiomorpholine ring suggests that it may exhibit unique properties related to its nitrogen and sulfur content, potentially influencing its reactivity and solubility. This compound is likely to be a solid at room temperature, given its structural characteristics, and may exhibit moderate to high lipophilicity due to the aromatic rings. Its functional groups could impart specific biological activities, making it of interest in medicinal chemistry. The compound may also participate in various chemical reactions, such as nucleophilic substitutions or electrophilic additions, depending on the conditions. Additionally, its stability and reactivity can be influenced by factors such as pH and solvent polarity. Overall, 4-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile represents a class of compounds that may have applications in pharmaceuticals or agrochemicals, warranting further investigation into its properties and potential uses.
Formula:C19H18N2OS
InChI:InChI=1S/C19H18N2OS/c20-13-15-5-7-16(8-6-15)19(22)18-4-2-1-3-17(18)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2
InChI key:InChIKey=UTABLOYIIQKJKF-UHFFFAOYSA-N
SMILES:C(C1=C(C(=O)C2=CC=C(C#N)C=C2)C=CC=C1)N3CCSCC3
Synonyms:
  • Benzonitrile, 4-[2-(4-thiomorpholinylmethyl)benzoyl]-
  • 4-[2-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile
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