1-((4-((6-((2-Mercapto-2-methylpropyl)amino)-5-(((2-mercapto-2-methylpropyl)amino)methyl)hexyl)oxy)benzoyl)oxy)-2,5-Pyrrolidinedione bis(tetrafluoroborate(1-))
[CAS# 137932-18-4]

Identification

• Name: 1-((4-((6-((2-Mercapto-2-methylpropyl)amino)-5-(((2-mercapto-2-methylpropyl)amino)methyl)hexyl)oxy)benzoyl)oxy)-2,5-Pyrrolidinedione bis(tetrafluoroborate(1-))
• Synonyms: Boron(+3) Cation; (2,5-Dioxopyrrolidin-1-Yl) 4-[6-[(2-Methyl-2-Sulfanyl-Propyl)Amino]-5-[[(2-Methyl-2-Sulfanyl-Propyl)Amino]Methyl]Hexoxy]Benzoate; Hydron; Octafluoride; Boron(+3) Cation; Hydron
• Molecular Formula: C₂₆H₄₃B₂F₈N₃O₅S₂
• Molecular Weight: 715.37
• CAS Registry Number: 137932-18-4
• SMILES: [F-].[F-].[F-].[F-].[F-].[F-].[B+3].[B+3].[H+].[H+].C1=C(OCCCCC(CNCC(S)(C)C)CNCC(S)(C)C)C=CC(=C1)C(ON2C(=O)CCC2=O)=O.[F-].[F-]
• InChI: 1S/C26H41N3O5S2.2B.8FH/c1-25(2,35)17-27-15-19(16-28-18-26(3,4)36)7-5-6-14-33-21-10-8-20(9-11-21)24(32)34-29-22(30)12-13-23(29)31;;;;;;;;;;/h8-11,19,27-28,35-36H,5-7,12-18H2,1-4H3;;;8*1H/q;2*+3;;;;;;;;/p-6
• InChIKey: OYLIDFBKZMSJII-UHFFFAOYSA-H

Properties

• Boiling point: 660.6°C at 760 mmHg (Cal.)
• Flash point: 353.3°C (Cal.)