5-(1-Methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one
[CAS# 5066-94-4]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Isoleucine derivative
• Name: 5-(1-Methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one
• Synonyms: 3-Phenyl-5-Sec-Butyl-2-Thioxo-Imidazolidin-4-One; 3-Phenyl-5-Sec-Butyl-2-Thioxo-4-Imidazolidinone; 5-Butan-2-Yl-3-Phenyl-2-Sulfanylidene-Imidazolidin-4-One
• Molecular Formula: C₁₃H₁₆N₂OS
• Molecular Weight: 248.34
• CAS Registry Number: 5066-94-4
• EINECS: 225-771-2
• SMILES: C2=C(N1C(C(C(CC)C)NC1=S)=O)C=CC=C2
• InChI: 1S/C13H16N2OS/c1-3-9(2)11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,17)
• InChIKey: NMRFWXLNHGJLIU-UHFFFAOYSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Melting point: 182°C (Expl.)
• Boiling point: 337.8°C at 760 mmHg (Cal.)
• Flash point: 158.096°C (Cal.)