8-(Aminosulfanyl)-7H-purine
[CAS# 887589-76-6]

Identification

• Name: 8-(Aminosulfanyl)-7H-purine
• Synonyms: 1H-PURINE-8-SULFENAMIDE; 7H-purin-8-ylsulfanamine; Azathioprine
• Molecular Formula: C₅H₅N₅S
• Molecular Weight: 167.19
• CAS Registry Number: 887589-76-6
• SMILES: C1=C2C(=NC=N1)N=C(N2)SN
• InChI: 1S/C5H5N5S/c6-11-5-9-3-1-7-2-8-4(3)10-5/h1-2H,6H2,(H,7,8,9,10)
• InChIKey: KTUHBEAQDPCSLP-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 465.5±37.0°C at 760 mmHg (Cal.)
• Flash point: 235.4±26.5°C (Cal.)
• Refractive index: 1.811 (Cal.)