(1,3,7-Trimethyl-2,6-Dioxopurin-8-Yl) Diethylaminomethanedithioate
[CAS# 180301-42-2]

Identification

• Name: (1,3,7-Trimethyl-2,6-Dioxopurin-8-Yl) Diethylaminomethanedithioate
• Synonyms: (1,3,7-Trimethyl-2,6-Dioxo-Purin-8-Yl) Diethylaminomethanedithioate; Diethylaminomethanedithioic Acid (1,3,7-Trimethyl-2,6-Dioxo-8-Purinyl) Ester; Diethylaminomethanedithioic Acid (2,6-Diketo-1,3,7-Trimethyl-Purin-8-Yl) Ester
• Molecular Formula: C₁₃H₁₉N₅O₂S₂
• Molecular Weight: 341.45
• CAS Registry Number: 180301-42-2
• SMILES: C(N(C(SC1=NC2=C([N]1C)C(N(C(N2C)=O)C)=O)=S)CC)C
• InChI: 1S/C13H19N5O2S2/c1-6-18(7-2)13(21)22-11-14-9-8(15(11)3)10(19)17(5)12(20)16(9)4/h6-7H2,1-5H3
• InChIKey: WHYUBHKOVOCYJI-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 504.244°C at 760 mmHg (Cal.)
• Flash point: 258.758°C (Cal.)