6-[(3-Methyl-2-Butenyl)Thio]-1H-Purine
[CAS# 14671-21-7]

Identification

• Name: 6-[(3-Methyl-2-Butenyl)Thio]-1H-Purine
• Synonyms: 6-(3-Methylbut-2-Enylthio)-7H-Purine; 6-(3-Methyl-2-Butenylthio)Purine; Nsc89396
• Molecular Formula: C₁₀H₁₂N₄S
• Molecular Weight: 220.29
• CAS Registry Number: 14671-21-7
• SMILES: C1=NC2=C([NH]1)C(=NC=N2)SCC=C(C)C
• InChI: 1S/C10H12N4S/c1-7(2)3-4-15-10-8-9(12-5-11-8)13-6-14-10/h3,5-6H,4H2,1-2H3,(H,11,12,13,14)
• InChIKey: BSUUFNRTDLFAEB-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 452.707°C at 760 mmHg (Cal.)
• Flash point: 227.589°C (Cal.)