Albutoin
[CAS# 830-89-7]

Identification

• Name: Albutoin
• Synonyms: 3-Allyl-5-Isobutyl-2-Thioxo-Imidazolidin-4-One; 3-Allyl-5-Isobutyl-2-Thioxo-4-Imidazolidinone; 5-(2-Methylpropyl)-3-Prop-2-Enyl-2-Sulfanylidene-Imidazolidin-4-One
• Molecular Formula: C₁₀H₁₆N₂OS
• Molecular Weight: 212.31
• CAS Registry Number: 830-89-7
• SMILES: C(N1C(C(CC(C)C)NC1=S)=O)C=C
• InChI: 1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
• InChIKey: RATGSRSDPNECNO-UHFFFAOYSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 275.227°C at 760 mmHg (Cal.)
• Flash point: 120.254°C (Cal.)