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CAS 102423-76-7

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1,2-Dihydro-6-mercapto-2-oxo-4-phenyl-3,5-pyridinedicarbonitrile

Description:
1,2-Dihydro-6-mercapto-2-oxo-4-phenyl-3,5-pyridinedicarbonitrile, identified by its CAS number 102423-76-7, is a heterocyclic organic compound featuring a pyridine ring with multiple functional groups. This compound typically exhibits a yellow to brown coloration and is characterized by the presence of both mercapto (-SH) and carbonitrile (-C≡N) groups, which contribute to its reactivity and potential biological activity. The mercapto group can participate in nucleophilic reactions, while the carbonitrile groups may engage in various chemical transformations, making it a versatile intermediate in organic synthesis. Additionally, the phenyl group enhances its aromatic character and may influence its solubility and interaction with other molecules. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique combination of functional groups that may exhibit biological activity. However, specific properties such as solubility, melting point, and stability would require empirical data for precise characterization.
Formula:C13H7N3OS
InChI:InChI=1S/C13H7N3OS/c14-6-9-11(8-4-2-1-3-5-8)10(7-15)13(18)16-12(9)17/h1-5H,(H2,16,17,18)
InChI key:InChIKey=CGHAJZFWTFXRCN-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C(C#N)=C(S)NC1=O)C2=CC=CC=C2
Synonyms:
  • 1,2-Dihydro-6-mercapto-2-oxo-4-phenyl-3,5-pyridinedicarbonitrile
  • 3,5-Pyridinedicarbonitrile, 1,2-dihydro-6-mercapto-2-oxo-4-phenyl-
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