8,8'-Ethylenebis[3,7-Dihydro-1,3-Dimethyl-2-Thioxo-1H-Purin-6(2H)-One]
[CAS# 1784-50-5]

Identification

• Name: 8,8'-Ethylenebis[3,7-Dihydro-1,3-Dimethyl-2-Thioxo-1H-Purin-6(2H)-One]
• Synonyms: 8-[2-(1,3-Dimethyl-6-Oxo-2-Thioxo-7H-Purin-8-Yl)Ethyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-[2-(6-Keto-1,3-Dimethyl-2-Thioxo-7H-Purin-8-Yl)Ethyl]-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; Brn 1192853
• Molecular Formula: C₁₆H₁₈N₈O₂S₂
• Molecular Weight: 418.49
• CAS Registry Number: 1784-50-5
• SMILES: C(C2=NC1=C(C(N(C)C(N1C)=S)=O)[NH]2)CC3=NC4=C([NH]3)C(N(C)C(N4C)=S)=O
• InChI: 1S/C16H18N8O2S2/c1-21-11-9(13(25)23(3)15(21)27)17-7(19-11)5-6-8-18-10-12(20-8)22(2)16(28)24(4)14(10)26/h5-6H2,1-4H3,(H,17,19)(H,18,20)
• InChIKey: VUYGRECUFBNLNE-UHFFFAOYSA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Boiling point: 787.918°C at 760 mmHg (Cal.)
• Flash point: 430.317°C (Cal.)