6,7-Dihydro-1,3-Dimethyl-8-[(2-Oxopropyl)Thio]-6-Thioxo-1H-Purin-2(3H)-One
[CAS# 6466-01-9]

Identification

• Name: 6,7-Dihydro-1,3-Dimethyl-8-[(2-Oxopropyl)Thio]-6-Thioxo-1H-Purin-2(3H)-One
• Synonyms: 8-Acetonylsulfanyl-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-(Acetonylthio)-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; Brn 1142670
• Molecular Formula: C₁₀H₁₂N₄O₂S₂
• Molecular Weight: 284.35
• CAS Registry Number: 6466-01-9
• SMILES: C(SC2=NC1=C(C(N(C)C(N1C)=O)=S)[NH]2)C(C)=O
• InChI: 1S/C10H12N4O2S2/c1-5(15)4-18-9-11-6-7(12-9)13(2)10(16)14(3)8(6)17/h4H2,1-3H3,(H,11,12)
• InChIKey: BBXFGEBSYQIPGF-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 504.165°C at 760 mmHg (Cal.)
• Flash point: 258.71°C (Cal.)