1-Allyl-5-Ethyl-5-Isopentyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 66941-64-8]

Identification

• Name: 1-Allyl-5-Ethyl-5-Isopentyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-Ethyl-5-(3-Methylbutyl)-4,6-Dioxo-1-Prop-2-Enylpyrimidine-2-Thiolate; Sodium 1-Allyl-5-Ethyl-5-Isopentyl-6-Oxo-2-Thioxo-Pyrimidin-4-Olate; Sodium 1-Allyl-5-Ethyl-5-Isopentyl-4,6-Dioxo-Pyrimidine-2-Thiolate
• Molecular Formula: C₁₄H₂₁N₂NaO₂S
• Molecular Weight: 304.38
• CAS Registry Number: 66941-64-8
• SMILES: C(C1(C(=O)N(C(=S)[N-]C1=O)CC=C)CC)CC(C)C.[Na+]
• InChI: 1S/C14H22N2O2S.Na/c1-5-9-16-12(18)14(6-2,8-7-10(3)4)11(17)15-13(16)19;/h5,10H,1,6-9H2,2-4H3,(H,15,17,19);/q;+1/p-1
• InChIKey: HFGBXKBVRWDICP-UHFFFAOYSA-M

Properties

• Boiling point: 380.1°C at 760 mmHg (Cal.)
• Flash point: 183.7°C (Cal.)