1-Methyl-7H-Purine-6-Thione
[CAS# 1006-22-0]

Identification

• Name: 1-Methyl-7H-Purine-6-Thione
• Synonyms: 1-Methyl-6-Mercaptopurine; 1-Methyl-6-Thiopurine; 1-Methylpurine-6-Thione
• Molecular Formula: C₆H₆N₄S
• Molecular Weight: 166.20
• CAS Registry Number: 1006-22-0
• SMILES: C2=NC1=C(C(=S)N(C=N1)C)[NH]2
• InChI: 1S/C6H6N4S/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)
• InChIKey: AXJTXAKFWQGTLR-UHFFFAOYSA-N

Properties

• Density: 1.587g/cm³ (Cal.)
• Boiling point: 453.75°C at 760 mmHg (Cal.)
• Flash point: 228.22°C (Cal.)