2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Ethyl Diethylaminomethanedithioate
[CAS# 180301-43-3]

Identification

• Name: 2-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Ethyl Diethylaminomethanedithioate
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl Diethylaminomethanedithioate; Diethylaminomethanedithioic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; Diethylaminomethanedithioic Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Ester
• Molecular Formula: C₁₄H₂₁N₅O₂S₂
• Molecular Weight: 355.47
• CAS Registry Number: 180301-43-3
• SMILES: C1=NC2=C([N]1CCSC(N(CC)CC)=S)C(N(C(N2C)=O)C)=O
• InChI: 1S/C14H21N5O2S2/c1-5-18(6-2)14(22)23-8-7-19-9-15-11-10(19)12(20)17(4)13(21)16(11)3/h9H,5-8H2,1-4H3
• InChIKey: WDIRJZXAQSLJGW-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 549.781°C at 760 mmHg (Cal.)
• Flash point: 286.298°C (Cal.)