1,3,9-Trimethyl-8-Sulfanylidene-7H-Purine-2,6-Dione
[CAS# 2564-54-7]

Identification

• Name: 1,3,9-Trimethyl-8-Sulfanylidene-7H-Purine-2,6-Dione
• Synonyms: 1,3,9-Trimethyl-8-Thioxo-7H-Purine-2,6-Dione; 1,3,9-Trimethyl-8-Thioxo-7H-Purine-2,6-Quinone; Nsc 14290
• Molecular Formula: C₈H₁₀N₄O₂S
• Molecular Weight: 226.25
• CAS Registry Number: 2564-54-7
• SMILES: CN2C1=C(NC(=S)N1C)C(=O)N(C2=O)C
• InChI: 1S/C8H10N4O2S/c1-10-5-4(9-7(10)15)6(13)12(3)8(14)11(5)2/h1-3H3,(H,9,15)
• InChIKey: ULPYQIHKMUDZLR-UHFFFAOYSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Boiling point: 300.565°C at 760 mmHg (Cal.)
• Flash point: 135.577°C (Cal.)