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CAS 72176-80-8

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3-(4-nitrophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Description:
3-(4-Nitrophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, with the CAS number 72176-80-8, is a chemical compound that belongs to the quinazolinone family. This substance features a quinazolinone core structure, which is characterized by a fused bicyclic system containing both a benzene and a pyrimidine ring. The presence of a thioxo group (a sulfur atom double-bonded to a carbon) contributes to its unique reactivity and potential biological activity. The 4-nitrophenyl substituent indicates the presence of a nitro group on a phenyl ring, which can enhance the compound's electronic properties and influence its interactions in biological systems. This compound may exhibit various pharmacological activities, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity can vary based on environmental conditions and the presence of other functional groups. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C14H9N3O3S
InChI:InChI=1/C14H9N3O3S/c18-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,21)
SMILES:c1ccc2c(c1)c(=O)n(c1ccc(cc1)N(=O)=O)c(n2)S
Synonyms:
  • 2-Mercapto-3-(4-nitro-phenyl)-3H-quinazolin-4-one
  • 3-(4-Nitrophenyl)-2-sulfanylquinazolin-4(3H)-one
  • 4(3H)-quinazolinone, 2-mercapto-3-(4-nitrophenyl)-
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