8-Phenyl-7-Thia-1,5-Diazabicyclo[4.3.0]Nona-2,5-Dien-4-One
[CAS# 51068-11-2]

Identification

• Name: 8-Phenyl-7-Thia-1,5-Diazabicyclo[4.3.0]Nona-2,5-Dien-4-One
• Synonyms: 2-Phenyl-2,3-Dihydrothiazolo[3,2-A]Pyrimidin-7-One; Nsc295404
• Molecular Formula: C₁₂H₁₀N₂OS
• Molecular Weight: 230.28
• CAS Registry Number: 51068-11-2
• SMILES: C1=C(C=CC=C1)C3CN2C(=NC(=O)C=C2)S3
• InChI: 1S/C12H10N2OS/c15-11-6-7-14-8-10(16-12(14)13-11)9-4-2-1-3-5-9/h1-7,10H,8H2
• InChIKey: QFKQAYHUYGWWNA-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 393.664°C at 760 mmHg (Cal.)
• Flash point: 191.881°C (Cal.)