molybdenum(6+) ion dihydrate trisulfanediide

• ChemBase ID: 303155
• Molecular Formular: MoO2S3
• Molecular Mass: 224.1538
• Monoisotopic Mass: 225.81145024
• SMILES: O.O.[SH2-2].[SH2-2].[SH2-2].[Mo+6]
• Canonical SMILES: O.O.[SH2-2].[SH2-2].[SH2-2].[Mo+6]
• InChI: InChI=1S/Mo.2H2O.3S/h;2*1H2;;;/q+6;;;3*-2
• InChIKey: JPNGEVPYFSWBDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: molybdenum(6+) ion dihydrate trisulfanediide
• IUPAC Traditional name: molybdenum(6+) ion dihydrate trisulfanediide
• Synonyms: Molybdenum(VI) sulfide dihydrate; 三硫化钼(VI)二水合物

Database IDs

• CAS Number: 12033-29-3
• MDL Number: MFCD00014226

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 是