1-Mercapto-4-(3-Methylphenyl)[1,2,4]Triazolo[4,3-a]Quinazolin-5(4H)-One
[CAS# 67442-91-5]

Identification

• Name: 1-Mercapto-4-(3-Methylphenyl)[1,2,4]Triazolo[4,3-a]Quinazolin-5(4H)-One
• Synonyms: 4-(3-Methylphenyl)-1-Thioxo-2H-[1,2,4]Triazolo[4,3-A]Quinazolin-5-One; Zinc03335140
• Molecular Formula: C₁₆H₁₂N₄OS
• Molecular Weight: 308.36
• CAS Registry Number: 67442-91-5
• SMILES: C3=C2N1C(=NNC1=S)N(C(=O)C2=CC=C3)C4=CC=CC(=C4)C
• InChI: 1S/C16H12N4OS/c1-10-5-4-6-11(9-10)19-14(21)12-7-2-3-8-13(12)20-15(19)17-18-16(20)22/h2-9H,1H3,(H,18,22)
• InChIKey: GIOHZUXLYXFUQU-UHFFFAOYSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 475.129°C at 760 mmHg (Cal.)
• Flash point: 241.15°C (Cal.)