9,11,20,22-Tetrahydrotetrabenzo[d,f,k,m][1,3,8,10]tetraazacyclotetradecine-10,21-dithione
[CAS# 221011-41-2]

Identification

• Name: 9,11,20,22-Tetrahydrotetrabenzo[d,f,k,m][1,3,8,10]tetraazacyclotetradecine-10,21-dithione
• Synonyms: Nitrate Ionophore V
• Molecular Formula: C₂₆H₂₀N₄S₂
• Molecular Weight: 452.59
• CAS Registry Number: 221011-41-2
• SMILES: S=C3Nc5c(c4c(NC(=S)Nc1ccccc1c2ccccc2N3)cccc4)cccc5
• InChI: 1S/C26H20N4S2/c31-25-27-21-13-5-1-9-17(21)18-10-2-6-14-22(18)28-26(32)30-24-16-8-4-12-20(24)19-11-3-7-15-23(19)29-25/h1-16H,(H2,27,29,31)(H2,28,30,32)
• InChIKey: GVMHPPQEENVYSW-UHFFFAOYSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 652.068°C at 760 mmHg (Cal.)
• Flash point: 348.158°C (Cal.)
• Refractive index: 1.796 (Cal.)