4-Methyl-2-[(4-Methylphenyl)Sulfanylmethyl]-3-Oxido-Quinazoline
[CAS# 7251-56-1]

Identification

• Name: 4-Methyl-2-[(4-Methylphenyl)Sulfanylmethyl]-3-Oxido-Quinazoline
• Synonyms: 4-Methyl-2-[(4-Methylphenyl)Sulfanylmethyl]-3-Oxido-Quinazolin-3-Ium; 4-Methyl-2-[[(4-Methylphenyl)Thio]Methyl]-3-Oxidoquinazolin-3-Ium; 4-Methyl-2-[[(4-Methylphenyl)Thio]Methyl]-3-Oxido-Quinazolin-3-Ium
• Molecular Formula: C₁₇H₁₆N₂OS
• Molecular Weight: 296.39
• CAS Registry Number: 7251-56-1
• SMILES: C3=C(SCC2=NC1=CC=CC=C1C(=[N+]2[O-])C)C=CC(=C3)C
• InChI: 1S/C17H16N2OS/c1-12-7-9-14(10-8-12)21-11-17-18-16-6-4-3-5-15(16)13(2)19(17)20/h3-10H,11H2,1-2H3
• InChIKey: WIPRPPXYIWITAW-UHFFFAOYSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 500.325°C at 760 mmHg (Cal.)
• Flash point: 256.387°C (Cal.)