1-Allyl-5,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 66941-61-5]

Identification

• Name: 1-Allyl-5,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5,5-Diethyl-4,6-Dioxo-1-Prop-2-Enylpyrimidine-2-Thiolate; Sodium 1-Allyl-5,5-Diethyl-4,6-Dioxo-Pyrimidine-2-Thiolate; Sodium 1-Allyl-5,5-Diethyl-6-Oxo-2-Thioxo-Pyrimidin-4-Olate
• Molecular Formula: C₁₁H₁₅N₂NaO₂S
• Molecular Weight: 262.30
• CAS Registry Number: 66941-61-5
• SMILES: C(C1(C(=O)N(C(=S)[N-]C1=O)CC=C)CC)C.[Na+]
• InChI: 1S/C11H16N2O2S.Na/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16;/h4H,1,5-7H2,2-3H3,(H,12,14,16);/q;+1/p-1
• InChIKey: DSPCHRXQBWIGSG-UHFFFAOYSA-M

Properties

• Boiling point: 342.1°C at 760 mmHg (Cal.)
• Flash point: 160.7°C (Cal.)