9-Butyl-6-Octylsulfanyl-Purine
[CAS# 15923-50-9]

Identification

• Name: 9-Butyl-6-Octylsulfanyl-Purine
• Synonyms: 9-Butyl-6-Octylsulfanyl-Purine; 9-Butyl-6-(Octylthio)Purine; Nsc83694
• Molecular Formula: C₁₇H₂₈N₄S
• Molecular Weight: 320.50
• CAS Registry Number: 15923-50-9
• SMILES: C2=NC1=C(N=CN=C1SCCCCCCCC)[N]2CCCC
• InChI: 1S/C17H28N4S/c1-3-5-7-8-9-10-12-22-17-15-16(18-13-19-17)21(14-20-15)11-6-4-2/h13-14H,3-12H2,1-2H3
• InChIKey: NVPJDDPNMWHPHC-UHFFFAOYSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 467.242°C at 760 mmHg (Cal.)
• Flash point: 236.38°C (Cal.)