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CAS 898782-40-6

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2-[4-(thiomorpholinomethyl)benzoyl]benzonitrile

Description:
2-[4-(Thiomorpholinomethyl)benzoyl]benzonitrile, identified by its CAS number 898782-40-6, 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, with potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its structural features that may interact with biological targets. The presence of both a nitrile and a benzoyl group may contribute to its electronic properties, making it a candidate for further studies in drug design or as a synthetic intermediate. Additionally, its synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry, to confirm its structure and purity. Overall, this compound represents a class of molecules that could be of interest in various chemical and biological research fields.
Formula:C19H18N2OS
InChI:InChI=1/C19H18N2OS/c20-13-17-3-1-2-4-18(17)19(22)16-7-5-15(6-8-16)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2
InChI key:InChIKey=UZMQNADVVBQFRH-UHFFFAOYSA-N
SMILES:c1ccc(c(c1)C#N)C(=O)c1ccc(cc1)CN1CCSCC1
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