1,7-Dihydro-6H-purine-6-thione 9-oxide
[CAS# 856611-14-8]

Identification

• Name: 1,7-Dihydro-6H-purine-6-thione 9-oxide
• Synonyms: 6-thioxo-6,7-dihydro-1H-purine 9-oxide
• Molecular Formula: C₅H₄N₄OS
• Molecular Weight: 168.18
• CAS Registry Number: 856611-14-8
• SMILES: C1=NC2=C(C(=S)N1)NC=[N+]2[O-]
• InChI: 1S/C5H4N4OS/c10-9-2-8-3-4(9)6-1-7-5(3)11/h1-2,8H,(H,6,7,11)
• InChIKey: LFQPKVYEVSPWND-UHFFFAOYSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 510.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 262.3±32.9°C (Cal.)
• Refractive index: 1.945 (Cal.)