8,8'-Methylenebis[2,7-Dihydro-1,3-Dimethyl-2-Thioxo-1H-Purin-6(3H)-One]
[CAS# 1915-58-8]

Identification

• Name: 8,8'-Methylenebis[2,7-Dihydro-1,3-Dimethyl-2-Thioxo-1H-Purin-6(3H)-One]
• Synonyms: 8-[(1,3-Dimethyl-6-Oxo-2-Thioxo-7H-Purin-8-Yl)Methyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-[(6-Keto-1,3-Dimethyl-2-Thioxo-7H-Purin-8-Yl)Methyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8,8'-Methylene-Bis-(2-Thiotheophylline)
• Molecular Formula: C₁₅H₁₆N₈O₂S₂
• Molecular Weight: 404.46
• CAS Registry Number: 1915-58-8
• SMILES: C(C2=NC1=C(C(N(C)C(N1C)=S)=O)[NH]2)C3=NC4=C([NH]3)C(N(C)C(N4C)=S)=O
• InChI: 1S/C15H16N8O2S2/c1-20-10-8(12(24)22(3)14(20)26)16-6(18-10)5-7-17-9-11(19-7)21(2)15(27)23(4)13(9)25/h5H2,1-4H3,(H,16,18)(H,17,19)
• InChIKey: QIRUGLODEIPRED-UHFFFAOYSA-N

Properties

• Density: 1.737g/cm³ (Cal.)
• Boiling point: 788.652°C at 760 mmHg (Cal.)
• Flash point: 430.761°C (Cal.)