6,7-Dihydro-1,3-Dimethyl-8-(Heptylthio)-6-Thioxo-1H-Purin-2(3H)-One
[CAS# 4791-39-3]

Identification

• Name: 6,7-Dihydro-1,3-Dimethyl-8-(Heptylthio)-6-Thioxo-1H-Purin-2(3H)-One
• Synonyms: 8-Heptylsulfanyl-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-(Heptylthio)-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; Uric Acid, 1,3-Dimethyl-(8-Heptylthio)-6-Thio-
• Molecular Formula: C₁₄H₂₂N₄OS₂
• Molecular Weight: 326.47
• CAS Registry Number: 4791-39-3
• SMILES: C(SC1=NC2=C([NH]1)C(N(C)C(N2C)=O)=S)CCCCCC
• InChI: 1S/C14H22N4OS2/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(19)18(3)12(10)20/h4-9H2,1-3H3,(H,15,16)
• InChIKey: WSKPFQOBJBXMIA-UHFFFAOYSA-N

Properties

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