5-Benzyl-1,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
[CAS# 66941-97-7]

Identification

• Name: 5-Benzyl-1,5-Diethyl-2-Sodiothio-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 1,5-Diethyl-6-Oxo-5-(Phenylmethyl)-2-Sulfanylidenepyrimidin-4-Olate; Sodium 1,5-Diethyl-6-Oxo-5-(Phenylmethyl)-2-Thioxo-Pyrimidin-4-Olate; Sodium 1,5-Diethyl-4,6-Dioxo-5-(Phenylmethyl)-2-Pyrimidinethiolate
• Molecular Formula: C₁₅H₁₇N₂NaO₂S
• Molecular Weight: 312.36
• CAS Registry Number: 66941-97-7
• SMILES: C2=C(CC1(C(=O)N(C(=S)[N-]C1=O)CC)CC)C=CC=C2.[Na+]
• InChI: 1S/C15H18N2O2S.Na/c1-3-15(10-11-8-6-5-7-9-11)12(18)16-14(20)17(4-2)13(15)19;/h5-9H,3-4,10H2,1-2H3,(H,16,18,20);/q;+1/p-1
• InChIKey: YGHCYRIBOIAGRZ-UHFFFAOYSA-M

Properties

• Boiling point: 421.3°C at 760 mmHg (Cal.)
• Flash point: 208.6°C (Cal.)