5-(2-Butenyl)-5-Isobutyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 67050-02-6]

Identification

• Name: 5-(2-Butenyl)-5-Isobutyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-[(E)-But-2-Enyl]-5-Isobutyl-4,6-Dioxo-Hexahydropyrimidine-2-Thiolate; Sodium 5-[(E)-But-2-Enyl]-5-Isobutyl-4,6-Dioxo-2-Hexahydropyrimidinethiolate; Sodium 5-[(E)-But-2-Enyl]-5-Isobutyl-4,6-Diketo-Hexahydropyrimidine-2-Thiolate
• Molecular Formula: C₁₂H₁₉N₂NaO₂S
• Molecular Weight: 278.34
• CAS Registry Number: 67050-02-6
• SMILES: C(C1(C(=O)NC([S-])NC1=O)C\C=C\C)C(C)C.[Na+]
• InChI: 1S/C12H20N2O2S.Na/c1-4-5-6-12(7-8(2)3)9(15)13-11(17)14-10(12)16;/h4-5,8,11,17H,6-7H2,1-3H3,(H,13,15)(H,14,16);/q;+1/p-1/b5-4+
• InChIKey: XGKBYIFODASRBP-FXRZFVDSSA-M

Properties

• Boiling point: 495.5°C at 760 mmHg (Cal.)
• Flash point: 253.5°C (Cal.)