8,8'-Trimethylenebis(1,2,3,7-Tetrahydro-1,3-Dimethyl-2-Thioxo-6H-Purin-6-One)
[CAS# 6466-29-1]

Identification

• Name: 8,8'-Trimethylenebis(1,2,3,7-Tetrahydro-1,3-Dimethyl-2-Thioxo-6H-Purin-6-One)
• Synonyms: 8-[3-(1,3-Dimethyl-6-Oxo-2-Thioxo-7H-Purin-8-Yl)Propyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-[3-(6-Keto-1,3-Dimethyl-2-Thioxo-7H-Purin-8-Yl)Propyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8,8'-Trimethylenebis(2-Thiotheophylline)
• Molecular Formula: C₁₇H₂₀N₈O₂S₂
• Molecular Weight: 432.52
• CAS Registry Number: 6466-29-1
• SMILES: C(C2=NC1=C(C(N(C(N1C)=S)C)=O)[NH]2)CCC4=NC3=C(C(N(C(N3C)=S)C)=O)[NH]4
• InChI: 1S/C17H20N8O2S2/c1-22-12-10(14(26)24(3)16(22)28)18-8(20-12)6-5-7-9-19-11-13(21-9)23(2)17(29)25(4)15(11)27/h5-7H2,1-4H3,(H,18,20)(H,19,21)
• InChIKey: CKNRZZMPKSYJCP-UHFFFAOYSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 791.287°C at 760 mmHg (Cal.)
• Flash point: 432.355°C (Cal.)