2-Methylsulfanyl-3-Phenylquinazolin-4-One
[CAS# 73987-32-3]

Identification

• Name: 2-Methylsulfanyl-3-Phenylquinazolin-4-One
• Synonyms: 2-Methylsulfanyl-3-Phenyl-Quinazolin-4-One; 2-(Methylthio)-3-Phenyl-4-Quinazolinone; 2-(Methylthio)-3-Phenyl-Quinazolin-4-One
• Molecular Formula: C₁₅H₁₂N₂OS
• Molecular Weight: 268.33
• CAS Registry Number: 73987-32-3
• SMILES: C3=C(N1C(=NC2=C(C1=O)C=CC=C2)SC)C=CC=C3
• InChI: 1S/C15H12N2OS/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3
• InChIKey: RIXNXRQGSOJIKY-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Melting point: 123-125°C (Expl.)
• Boiling point: 438.066°C at 760 mmHg (Cal.)
• Flash point: 218.735°C (Cal.)

References

• (1): Ion Ghiviriga, Bahaa El-Dien M. El-Gendy, Peter J. Steel and Alan R. Katritzky. Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds, Org. Biomol. Chem., 2009, 7, 4110.