9-(N-Butyl)-6-Mercaptopurine
[CAS# 6165-01-1]

Identification

• Name: 9-(N-Butyl)-6-Mercaptopurine
• Synonyms: 6H-Purine-6-Thione, 9-Butyl-1,9-Dihydro-; 9-Butyl-6-Mercaptopurine; 9-Butyl-6Mp
• Molecular Formula: C₉H₁₂N₄S
• Molecular Weight: 208.28
• CAS Registry Number: 6165-01-1
• SMILES: C2=NC1=C(NC=NC1=S)[N]2CCCC
• InChI: 1S/C9H12N4S/c1-2-3-4-13-6-12-7-8(13)10-5-11-9(7)14/h5-6H,2-4H2,1H3,(H,10,11,14)
• InChIKey: HRAKJMXGVYBTRV-UHFFFAOYSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 430.443°C at 760 mmHg (Cal.)
• Flash point: 214.125°C (Cal.)