1,3-Dimethyl-2,7-Dihydro-8-(Heptylthio)-2-Thioxo-1H-Purin-6(3H)-One
[CAS# 4776-10-7]

Identification

• Name: 1,3-Dimethyl-2,7-Dihydro-8-(Heptylthio)-2-Thioxo-1H-Purin-6(3H)-One
• Synonyms: 8-Heptylsulfanyl-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-(Heptylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; Brn 1145299
• Molecular Formula: C₁₄H₂₂N₄OS₂
• Molecular Weight: 326.47
• CAS Registry Number: 4776-10-7
• SMILES: C(SC2=NC1=C(C(N(C(N1C)=S)C)=O)[NH]2)CCCCCC
• InChI: 1S/C14H22N4OS2/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)
• InChIKey: XWOZQLIODSDOOV-UHFFFAOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 507.006°C at 760 mmHg (Cal.)
• Flash point: 260.428°C (Cal.)