8,8'-Tetramethylenebis(1,2,3,7-Tetrahydro-1,3-Dimethyl-2-Thioxo-6H-Purin-6-One)
[CAS# 6466-30-4]

Identification

• Name: 8,8'-Tetramethylenebis(1,2,3,7-Tetrahydro-1,3-Dimethyl-2-Thioxo-6H-Purin-6-One)
• Synonyms: 8-[4-(1,3-Dimethyl-6-Oxo-2-Thioxo-7H-Purin-8-Yl)Butyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-[4-(6-Keto-1,3-Dimethyl-2-Thioxo-7H-Purin-8-Yl)Butyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; Nsc 95926
• Molecular Formula: C₁₈H₂₂N₈O₂S₂
• Molecular Weight: 446.54
• CAS Registry Number: 6466-30-4
• SMILES: C(C2=NC1=C(C(N(C)C(N1C)=S)=O)[NH]2)CCCC3=NC4=C([NH]3)C(N(C(N4C)=S)C)=O
• InChI: 1S/C18H22N8O2S2/c1-23-13-11(15(27)25(3)17(23)29)19-9(21-13)7-5-6-8-10-20-12-14(22-10)24(2)18(30)26(4)16(12)28/h5-8H2,1-4H3,(H,19,21)(H,20,22)
• InChIKey: NSONFMCGPFMALE-UHFFFAOYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 791.978°C at 760 mmHg (Cal.)
• Flash point: 432.773°C (Cal.)