CAS 886500-94-3

2-[[6,8-Dibromo-3,4-dihydro-4-oxo-3-(2-propen-1-yl)-2-quinazolinyl]thio]acetic acid

Description:

2-[[6,8-Dibromo-3,4-dihydro-4-oxo-3-(2-propen-1-yl)-2-quinazolinyl]thio]acetic acid, with the CAS number 886500-94-3, is a synthetic organic compound characterized by its complex structure, which includes a quinazoline core substituted with bromine atoms and a thioacetic acid moiety. This compound features a quinazolinyl ring system that contributes to its potential biological activity, particularly in medicinal chemistry. The presence of bromine atoms enhances its reactivity and may influence its pharmacological properties. The thioacetic acid functional group suggests potential interactions with biological targets, possibly involving thiol groups in proteins. The compound's structure indicates it may exhibit unique properties such as solubility in organic solvents and potential bioactivity, making it of interest for research in drug development. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability and reactivity would be influenced by the presence of the various functional groups within its molecular framework.

Formula: C₁₃H₁₀Br₂N₂O₃S

InChI: InChI=1S/C13H10Br2N2O3S/c1-2-3-17-12(20)8-4-7(14)5-9(15)11(8)16-13(17)21-6-10(18)19/h2,4-5H,1,3,6H2,(H,18,19)

InChI key: InChIKey=RTQNSRHEGDUSCQ-UHFFFAOYSA-N

SMILES: O=C1C=2C(N=C(SCC(O)=O)N1CC=C)=C(Br)C=C(Br)C2

Synonyms:

• Acetic acid, 2-[[6,8-dibromo-3,4-dihydro-4-oxo-3-(2-propen-1-yl)-2-quinazolinyl]thio]-
• Acetic acid, [[6,8-dibromo-3,4-dihydro-4-oxo-3-(2-propenyl)-2-quinazolinyl]thio]-
• 2-[[6,8-Dibromo-3,4-dihydro-4-oxo-3-(2-propen-1-yl)-2-quinazolinyl]thio]acetic acid