5-Allyl-5,6-Dihydro-6-Imino-5-(1-Methylbutyl)-2-Sodiothio-4(3H)-Pyrimidinone
[CAS# 64058-16-8]

Identification

• Name: 5-Allyl-5,6-Dihydro-6-Imino-5-(1-Methylbutyl)-2-Sodiothio-4(3H)-Pyrimidinone
• Synonyms: Sodium 6-Amino-5-Pentan-2-Yl-5-Prop-2-Enyl-2-Sulfanylidenepyrimidin-4-Olate; Sodium 5-Allyl-6-Amino-5-(1-Methylbutyl)-2-Thioxo-Pyrimidin-4-Olate; Sodium 5-Allyl-4-Amino-5-(1-Methylbutyl)-6-Oxo-Pyrimidine-2-Thiolate
• Molecular Formula: C₁₂H₁₈N₃NaOS
• Molecular Weight: 275.34
• CAS Registry Number: 64058-16-8
• SMILES: C(C(C1(CC=C)C(=NC(=S)[N-]C1=O)N)C)CC.[Na+]
• InChI: 1S/C12H19N3OS.Na/c1-4-6-8(3)12(7-5-2)9(13)14-11(17)15-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H3,13,14,15,16,17);/q;+1/p-1
• InChIKey: DDHBZUHWDGMLKV-UHFFFAOYSA-M

Properties

• Boiling point: 378.5°C at 760 mmHg (Cal.)
• Flash point: 182.7°C (Cal.)