4,5-Dihydro-1-Phenyl-1,4-Epoxy-1H,3H-(1,4)Thiazepino(4,3-a)Benzimidazole
[CAS# 76099-30-4]

Identification

• Name: 4,5-Dihydro-1-Phenyl-1,4-Epoxy-1H,3H-(1,4)Thiazepino(4,3-a)Benzimidazole
• Synonyms: 4,5-Dihydro-1-Phenyl-1,4-Epoxy-1H,3H-(1,4)Thiazepino(4,3-A)Benzimidazole; Brn 5590092
• Molecular Formula: C₁₇H₁₄N₂OS
• Molecular Weight: 294.37
• CAS Registry Number: 76099-30-4
• SMILES: [N]13C(=NC2=CC=CC=C12)C4(SCC(C3)O4)C5=CC=CC=C5
• InChI: 1S/C17H14N2OS/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(20-17)11-21-17/h1-9,13H,10-11H2
• InChIKey: DAGJUBHDLVLDKE-UHFFFAOYSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 551.487°C at 760 mmHg (Cal.)
• Flash point: 287.329°C (Cal.)