5-(1-Cyclohexenyl)-1,5-Dimethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 66940-52-1]

Identification

• Name: 5-(1-Cyclohexenyl)-1,5-Dimethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-(1-Cyclohexenyl)-1,5-Dimethyl-6-Oxo-2-Sulfanylidenepyrimidin-4-Olate; Sodium 5-(1-Cyclohexenyl)-1,5-Dimethyl-2-Thioxo-Hexahydropyrimidin-3-Ide-4,6-Dione; Sodium 5-(1-Cyclohexenyl)-1,5-Dimethyl-6-Oxo-2-Thioxo-Pyrimidin-4-Olate
• Molecular Formula: C₁₂H₁₅N₂NaO₂S
• Molecular Weight: 274.31
• CAS Registry Number: 66940-52-1
• SMILES: CC1(C(=O)N(C(=S)[N-]C1=O)C)C2=CCCCC2.[Na+]
• InChI: 1S/C12H16N2O2S.Na/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;/h6H,3-5,7H2,1-2H3,(H,13,15,17);/q;+1/p-1
• InChIKey: XOTUKJIPPYHTQV-UHFFFAOYSA-M

Properties

• Boiling point: 376.4°C at 760 mmHg (Cal.)
• Flash point: 181.4°C (Cal.)