4-Butan-2-Yl-7-(2-Methylpropyl)-10-Propan-2-Yl-15,16-Dithia-2,5,8,11,19-Pentazabicyclo[11.4.2]Nonadecane-3,6,9,12,18-Pentone
[CAS# 3022-92-2]

Identification

• Name: 4-Butan-2-Yl-7-(2-Methylpropyl)-10-Propan-2-Yl-15,16-Dithia-2,5,8,11,19-Pentazabicyclo[11.4.2]Nonadecane-3,6,9,12,18-Pentone
• Synonyms: 7-Isobutyl-10-Isopropyl-4-Sec-Butyl-15,16-Dithia-2,5,8,11,19-Pentazabicyclo[11.4.2]Nonadecane-3,6,9,12,18-Pentone; Aids031219; Malformin A
• Molecular Formula: C₂₃H₃₉N₅O₅S₂
• Molecular Weight: 529.71
• CAS Registry Number: 3022-92-2
• SMILES: C(C1C(NC(C(NC2CSSCC(C(NC(C(N1)=O)C(C)C)=O)NC2=O)=O)C(CC)C)=O)C(C)C
• InChI: 1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)
• InChIKey: RNCGDQLZIATDOU-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 920.968°C at 760 mmHg (Cal.)
• Flash point: 510.783°C (Cal.)