CAS 886501-04-8

2-[(6,8-Dibromo-3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)thio]acetic acid

Description:

2-[(6,8-Dibromo-3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)thio]acetic acid is a chemical compound characterized by its complex structure, which includes a quinazoline moiety substituted with bromine atoms and a thioacetic acid functional group. The presence of bromine atoms contributes to its potential biological activity, as halogenated compounds often exhibit unique pharmacological properties. The quinazoline ring system is known for its role in various medicinal applications, including anticancer and antimicrobial activities. The thioacetic acid portion of the molecule may enhance its reactivity and solubility in biological systems. This compound is likely to be a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its synthesis and characterization would typically involve organic chemistry techniques, including nucleophilic substitution and functional group transformations. As with many synthetic compounds, safety and handling precautions are essential due to potential toxicity or reactivity associated with the bromine and sulfur functionalities.

Formula: C₁₁H₈Br₂N₂O₃S

InChI: InChI=1S/C11H8Br2N2O3S/c1-15-10(18)6-2-5(12)3-7(13)9(6)14-11(15)19-4-8(16)17/h2-3H,4H2,1H3,(H,16,17)

InChI key: InChIKey=NDQLDRGTCJCZLE-UHFFFAOYSA-N

SMILES: BrC1=C2C(C(=O)N(C)C(SCC(O)=O)=N2)=CC(Br)=C1

Synonyms:

• Acetic acid, [(6,8-dibromo-3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)thio]-
• Acetic acid, 2-[(6,8-dibromo-3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)thio]-
• 2-[(6,8-Dibromo-3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)thio]acetic acid