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CAS 13906-07-5

:

3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone

Description:
3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone, with the CAS number 13906-07-5, is a heterocyclic compound that belongs to the quinazolinone family. This substance features a quinazolinone core, characterized by a fused benzene and pyrimidine ring structure, which is further modified by a butyl group and a thioxo group. The presence of the thioxo group (a sulfur atom double-bonded to a carbon atom) contributes to its unique chemical reactivity and potential biological activity. The compound is typically a solid at room temperature and may exhibit solubility in organic solvents, depending on its specific structure and substituents. Its derivatives are of interest in medicinal chemistry due to their potential pharmacological properties, including antimicrobial and anticancer activities. As with many heterocycles, the electronic properties and steric effects of the substituents can significantly influence the compound's reactivity and interactions with biological targets. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.
Formula:C12H14N2OS
InChI:InChI=1S/C12H14N2OS/c1-2-3-8-14-11(15)9-6-4-5-7-10(9)13-12(14)16/h4-7H,2-3,8H2,1H3,(H,13,16)
InChI key:InChIKey=YIMVQTWMNLKAPM-UHFFFAOYSA-N
SMILES:O=C1C=2C(NC(=S)N1CCCC)=CC=CC2
Synonyms:
  • 2,4(1H,3H)-Quinazolinedione, 3-butyl-2-thio-
  • 3-Butyl-2-mercaptoquinazolin-4-one
  • 3-Butyl-2-mercaptoquinazoline-4-one
  • 4(1H)-Quinazolinone, 3-butyl-2,3-dihydro-2-thioxo-
  • 3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
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