5-(1H-Indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one
[CAS# 5789-24-2]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Tryptophan derivatives
• Name: 5-(1H-Indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one
• Synonyms: 5-(1H-Indol-3-Ylmethyl)-3-Phenyl-2-Thioxo-Imidazolidin-4-One; 5-(1H-Indol-3-Ylmethyl)-3-Phenyl-2-Thioxo-4-Imidazolidinone; 5-(1H-Indol-3-Ylmethyl)-3-Phenyl-2-Sulfanylidene-Imidazolidin-4-One
• Molecular Formula: C₁₈H₁₅N₃OS
• Molecular Weight: 321.40
• CAS Registry Number: 5789-24-2
• EINECS: 227-323-1
• SMILES: C2=C(C1=C(C=CC=C1)[NH]2)CC4C(N(C3=CC=CC=C3)C(N4)=S)=O
• InChI: 1S/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)
• InChIKey: KZXRWWVROVHSPI-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Melting point: 183°C (Expl.)
• Boiling point: 517.776°C at 760 mmHg (Cal.)
• Flash point: 266.942°C (Cal.)