Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester

Base Information

• Chemical Name: Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester
• CAS No.: 108635-39-8
• Molecular Formula: C17H11 Br2 Cl N2 O3 S
• Molecular Weight: 518.6068
• DSSTox Substance ID: DTXSID40148652
• Wikidata: Q83014234
• Mol file: 108635-39-8.mol

Synonyms:108635-39-8;Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester;C17H11Br2ClN2O3S;DTXSID40148652;C17-H11-Br2-Cl-N2-O3-S;LS-52225

Chemical Property of Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester

Chemical Property:

• Vapor Pressure: 2.18E-14mmHg at 25°C
• Boiling Point: 600.7°Cat760mmHg
• Flash Point: 317.1°C
• PSA: 86.49000
• Density: 1.81g/cm³
• LogP: 5.56370
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 517.85252
• Heavy Atom Count: 26
• Complexity: 594

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)SCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3Cl