iron(2+) ion tetralithium(1+) ion hexakis(iminomethanide)

• ChemBase ID: 111621
• Molecular Formular: C6FeLi4N6
• Molecular Mass: 239.7134
• Monoisotopic Mass: 240.01739973
• SMILES: [Li+].[Li+].[Li+].[Li+].[Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N
• Canonical SMILES: N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].[Li+].[Li+].[Li+].[Li+].[Fe+2]
• InChI: InChI=1S/6CN.Fe.4Li/c6*1-2;;;;;/q6*-1;+2;4*+1
• InChIKey: MWCFXRVLEYZWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(2+) ion tetralithium(1+) ion hexakis(iminomethanide)
• IUPAC Traditional name: iron ion(2+) tetraLithoTab hexakis(cyanide)
• Synonyms: LITHIUM FERROCYANIDE

Database IDs

• CAS Number: 13601-18-8
• PubChem SID: 162096694
• PubChem CID: 24884404

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220046

MP Biomedicals Rare Chemical collection