6-Sulfanylidene-7,9-Dihydro-3H-Purine-2,8-Dione
[CAS# 2002-60-0]

Identification

• Name: 6-Sulfanylidene-7,9-Dihydro-3H-Purine-2,8-Dione
• Synonyms: 6-Thioxo-7,9-Dihydro-3H-Purine-2,8-Dione; 6-Thioxo-7,9-Dihydro-3H-Purine-2,8-Quinone; 1H-Purine-2,8(3H,6H)-Dione, 7,9-Dihydro-6-Thioxo-
• Molecular Formula: C₅H₄N₄O₂S
• Molecular Weight: 184.17
• CAS Registry Number: 2002-60-0
• SMILES: O=C1NC2=C(N1)NC(=O)NC2=S
• InChI: 1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)
• InChIKey: SXHQUGJSTGOXMD-UHFFFAOYSA-N

Properties

• Density: 1.881g/cm³ (Cal.)
• Boiling point: 753.8°C at 760 mmHg (Cal.)
• Flash point: 409.7°C (Cal.)