8,8'-(1,5-Pentanediyl)Bis(3,7-Dihydro-1,3-Dimethyl-2-Thioxo-6H-Purin-6-One)
[CAS# 6466-31-5]

Identification

• Name: 8,8'-(1,5-Pentanediyl)Bis(3,7-Dihydro-1,3-Dimethyl-2-Thioxo-6H-Purin-6-One)
• Synonyms: 8-[5-(1,3-Dimethyl-6-Oxo-2-Thioxo-7H-Purin-8-Yl)Pentyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-[5-(6-Keto-1,3-Dimethyl-2-Thioxo-7H-Purin-8-Yl)Pentyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8,8'-Pentamethylenebis(2-Thiotheophylline)
• Molecular Formula: C₁₉H₂₄N₈O₂S₂
• Molecular Weight: 460.57
• CAS Registry Number: 6466-31-5
• SMILES: C(CCCCC1=NC2=C([NH]1)C(N(C(N2C)=S)C)=O)C3=NC4=C([NH]3)C(N(C(N4C)=S)C)=O
• InChI: 1S/C19H24N8O2S2/c1-24-14-12(16(28)26(3)18(24)30)20-10(22-14)8-6-5-7-9-11-21-13-15(23-11)25(2)19(31)27(4)17(13)29/h5-9H2,1-4H3,(H,20,22)(H,21,23)
• InChIKey: BCADCRQRLZMCMC-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 792.005°C at 760 mmHg (Cal.)
• Flash point: 432.789°C (Cal.)