2-(Naphthalen-1-ylmethylsulfanyl)-1H-quinazolin-4-one
[CAS# 5489-15-6]

Identification

• Name: 2-(Naphthalen-1-ylmethylsulfanyl)-1H-quinazolin-4-one
• Synonyms: 2-(1-Naphthylmethylsulfanyl)-1H-Quinazolin-4-One; 2-(1-Naphthylmethylthio)-1H-Quinazolin-4-One; Cbmicro_022521
• Molecular Formula: C₁₉H₁₄N₂OS
• Molecular Weight: 318.39
• CAS Registry Number: 5489-15-6
• SMILES: C1=CC=CC4=C1C(=O)N=C(SCC2=CC=CC3=CC=CC=C23)N4
• InChI: 1S/C19H14N2OS/c22-18-16-10-3-4-11-17(16)20-19(21-18)23-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,20,21,22)
• InChIKey: LTMUAFGFUZYCDP-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 538.76°C at 760 mmHg (Cal.)
• Flash point: 279.632°C (Cal.)