Ammonium 4-(1,4-Dihydro-4-Oxo-2-Thioxo-3(2H)-Quinazolinyl)Benzenesulphonate
[CAS# 94276-05-8]

Identification

• Name: Ammonium 4-(1,4-Dihydro-4-Oxo-2-Thioxo-3(2H)-Quinazolinyl)Benzenesulphonate
• Synonyms: Ammonium 4-(4-Oxo-2-Thioxo-1H-Quinazolin-3-Yl)Benzenesulfonate; Ammonium 4-(4-Keto-2-Thioxo-1H-Quinazolin-3-Yl)Benzenesulfonate; Ammonium 4-(1,4-Dihydro-4-Oxo-2-Thioxo-3(2H)-Quinazolinyl)Benzenesulphonate
• Molecular Formula: C₁₄H₁₃N₃O₄S₂
• Molecular Weight: 351.39
• CAS Registry Number: 94276-05-8
• EINECS: 304-494-1
• SMILES: C3=C(N2C(=O)C1=CC=CC=C1NC2=S)C=CC(=C3)[S]([O-])(=O)=O.[NH4+]
• InChI: 1S/C14H10N2O4S2.H3N/c17-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)22(18,19)20;/h1-8H,(H,15,21)(H,18,19,20);1H3
• InChIKey: PGSXLOPFPCVYCJ-UHFFFAOYSA-N

Properties

• Boiling point: 633.1°C at 760 mmHg (Cal.)
• Flash point: 336.7°C (Cal.)