8-(Allylthio)-6,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(3H)-One
[CAS# 6493-39-6]

Identification

• Name: 8-(Allylthio)-6,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(3H)-One
• Synonyms: 8-Allylsulfanyl-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-(Allylthio)-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; Brn 1133574
• Molecular Formula: C₁₀H₁₂N₄OS₂
• Molecular Weight: 268.35
• CAS Registry Number: 6493-39-6
• SMILES: C(SC2=NC1=C(C(N(C)C(N1C)=O)=S)[NH]2)C=C
• InChI: 1S/C10H12N4OS2/c1-4-5-17-9-11-6-7(12-9)13(2)10(15)14(3)8(6)16/h4H,1,5H2,2-3H3,(H,11,12)
• InChIKey: QVQXYQSTADXLAR-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 462.699°C at 760 mmHg (Cal.)
• Flash point: 233.632°C (Cal.)