λ4-iron(4+) ion disulfanediide

• ChemBase ID: 302919
• Molecular Formular: FeS2
• Molecular Mass: 119.975
• Monoisotopic Mass: 119.8790795
• SMILES: [SH2-2].[SH2-2].[Fe+4]
• Canonical SMILES: [SH2-2].[SH2-2].[Fe+4]
• InChI: InChI=1S/Fe.2S/q+4;2*-2
• InChIKey: KUABRTGHOBJWBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^4-iron(4+) ion disulfanediide
• IUPAC Traditional name: λ^4-iron(4+) ion disulfanediide
• Synonyms: Iron sulfide; 硫化铁

Database IDs

• CAS Number: 12068-85-8
• EC Number: 235-106-8
• MDL Number: MFCD00064690

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.06446023
• LogD (pH = 7.4): -0.7196984
• Log P: -0.0375
• Molar Refractivity: 5.7558 cm^3
• Polarizability: 3.055504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Apperance: -100 Mesh Powder
• Melting Point: 1171°C

Safety Information

• Risk Statements: 32
• TSCA Listed: 是

Product Information

• Purity: 99.9% (metals basis)