9-Butyl-1,3-Dimethyl-8-Sulfanylidene-7H-Purine-2,6-Dione
[CAS# 7501-78-2]

Identification

• Name: 9-Butyl-1,3-Dimethyl-8-Sulfanylidene-7H-Purine-2,6-Dione
• Synonyms: 9-Butyl-1,3-Dimethyl-8-Thioxo-7H-Purine-2,6-Dione; 9-Butyl-1,3-Dimethyl-8-Thioxo-7H-Purine-2,6-Quinone; Nsc28380
• Molecular Formula: C₁₁H₁₆N₄O₂S
• Molecular Weight: 268.33
• CAS Registry Number: 7501-78-2
• SMILES: C(N2C1=C(C(=O)N(C)C(N1C)=O)NC2=S)CCC
• InChI: 1S/C11H16N4O2S/c1-4-5-6-15-8-7(12-10(15)18)9(16)14(3)11(17)13(8)2/h4-6H2,1-3H3,(H,12,18)
• InChIKey: URMPBQMVAJIEQW-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 346.258°C at 760 mmHg (Cal.)
• Flash point: 163.211°C (Cal.)