9-Ethyl-6-Mercaptopurine
[CAS# 5427-20-3]

Identification

• Name: 9-Ethyl-6-Mercaptopurine
• Synonyms: 5-26-13-00225 (Beilstein Handbook Reference); 6H-Purine-6-Thione, 9-Ethyl-1,9-Dihydro- (9Ci); 9-Ethyl Mercaptopurine
• Molecular Formula: C₇H₈N₄S
• Molecular Weight: 180.23
• CAS Registry Number: 5427-20-3
• SMILES: C2=NC1=C(NC=NC1=S)[N]2CC
• InChI: 1S/C7H8N4S/c1-2-11-4-10-5-6(11)8-3-9-7(5)12/h3-4H,2H2,1H3,(H,8,9,12)
• InChIKey: APDNCRBSYUOIKC-UHFFFAOYSA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 426.227°C at 760 mmHg (Cal.)
• Flash point: 211.575°C (Cal.)