CAS 81066-86-6

2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinazolin-4(1H)-one

Description:

2-Thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinazolin-4(1H)-one is a chemical compound characterized by its unique structural features, which include a quinazolinone core with a thioxo group and a trifluoromethyl-substituted phenyl ring. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity, including antimicrobial or anticancer effects, due to the presence of the quinazolinone moiety. The trifluoromethyl group enhances lipophilicity and can influence the compound's reactivity and interaction with biological targets. Additionally, the thioxo group may contribute to the compound's stability and reactivity in various chemical environments. The compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which can affect its solubility and overall behavior in different solvents. As with many synthetic organic compounds, its applications may extend to pharmaceuticals, agrochemicals, or materials science, depending on its specific properties and reactivity.

Formula: C₁₅H₉F₃N₂OS

InChI: InChI=1/C15H9F3N2OS/c16-15(17,18)9-4-3-5-10(8-9)20-13(21)11-6-1-2-7-12(11)19-14(20)22/h1-8H,(H,19,22)

SMILES: c1ccc2c(c1)c(=O)n(c1cccc(c1)C(F)(F)F)c(n2)S

Synonyms:

• 2-Thioxo-3-[3-(Trifluoromethyl)Phenyl]-1,2,3,4-Tetrahydroquinazolin-4-One
• 4(1H)-quinazolinone, 2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl]-
• 4(3H)-quinazolinone, 2-mercapto-3-[3-(trifluoromethyl)phenyl]-