1-[4-(5-Oxo-1-Phenyl-2-Thioxo-4-Imidazolidinyl)Butyl]-3-Phenylthiourea
[CAS# 29635-94-7]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Lysine derivative
• Name: 1-[4-(5-Oxo-1-Phenyl-2-Thioxo-4-Imidazolidinyl)Butyl]-3-Phenylthiourea
• Synonyms: 1-(4-(5-Oxo-1-phenyl-2-thioxoimidazolidin-4-yl)butyl)-3-phenylthiourea; 1-[4-(5-Oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)-butyl]-3-phenyl-thiourea; 3-Phenyl-5-(4-(3-phenylthioureido)butyl)-2-thioxo-4-imidazolidone
• Molecular Formula: C₂₀H₂₂N₄OS₂
• Molecular Weight: 398.54
• CAS Registry Number: 29635-94-7
• SMILES: S=C2N(c1ccccc1)C(=O)C(N2)CCCCNC(=S)Nc3ccccc3
• InChI: 1S/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)
• InChIKey: BUPYRERCBPFRFM-UHFFFAOYSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Melting point: 165°C (Expl.)
• Boiling point: 530.788°C at 760 mmHg (Cal.)
• Flash point: 274.811°C (Cal.)
• Refractive index: 1.7 (Cal.)