3-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Propyl Diethylaminomethanedithioate
[CAS# 180301-45-5]

Identification

• Name: 3-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Propyl Diethylaminomethanedithioate
• Synonyms: 3-(3,7-Dimethyl-2,6-Dioxo-Purin-1-Yl)Propyl Diethylaminomethanedithioate; Diethylaminomethanedithioic Acid 3-(3,7-Dimethyl-2,6-Dioxo-1-Purinyl)Propyl Ester; Diethylaminomethanedithioic Acid 3-(2,6-Diketo-3,7-Dimethyl-Purin-1-Yl)Propyl Ester
• Molecular Formula: C₁₅H₂₃N₅O₂S₂
• Molecular Weight: 369.50
• CAS Registry Number: 180301-45-5
• SMILES: C1=NC2=C([N]1C)C(N(CCCSC(N(CC)CC)=S)C(N2C)=O)=O
• InChI: 1S/C15H23N5O2S2/c1-5-19(6-2)15(23)24-9-7-8-20-13(21)11-12(16-10-17(11)3)18(4)14(20)22/h10H,5-9H2,1-4H3
• InChIKey: IMUGRQWAPATDDH-UHFFFAOYSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 565.952°C at 760 mmHg (Cal.)
• Flash point: 296.077°C (Cal.)