3-Heptyl-1-Phenyl-2-Thiohydantoin
[CAS# 24147-50-0]

Identification

• Name: 3-Heptyl-1-Phenyl-2-Thiohydantoin
• Synonyms: 3-Heptyl-1-Phenyl-2-Thioxo-Imidazolidin-4-One; 3-Heptyl-1-Phenyl-2-Thioxo-4-Imidazolidinone; 3-Heptyl-1-Phenyl-2-Sulfanylidene-Imidazolidin-4-One
• Molecular Formula: C₁₆H₂₂N₂OS
• Molecular Weight: 290.42
• CAS Registry Number: 24147-50-0
• EINECS: 246-036-2
• SMILES: C1=CC=CC=C1N2C(=S)N(C(=O)C2)CCCCCCC
• InChI: 1S/C16H22N2OS/c1-2-3-4-5-9-12-17-15(19)13-18(16(17)20)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
• InChIKey: KJGKVKNUHXSXOH-UHFFFAOYSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 385.179°C at 760 mmHg (Cal.)
• Flash point: 186.75°C (Cal.)