discandium(3+) ion pentahydrate trisulfate

• ChemBase ID: 137946
• Molecular Formular: H10O17S3Sc2
• Molecular Mass: 468.17602
• Monoisotopic Mass: 467.81983566
• SMILES: O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sc+3].[Sc+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.[Sc+3].[Sc+3]
• InChI: InChI=1S/3H2O4S.5H2O.2Sc/c3*1-5(2,3)4;;;;;;;/h3*(H2,1,2,3,4);5*1H2;;/q;;;;;;;;2*+3/p-6
• InChIKey: TYCVDJKZMDZUBP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: discandium(3+) ion pentahydrate trisulfate
• IUPAC Traditional name: discandium(3+) ion pentahydrate trisulfate
• Synonyms: Sulfuric acid scandium(III) salt pentahydrate; Scandium(III) sulfate pentahydrate; 硫酸 钪(III) 盐 五水合物; 硫酸钪 五水合物

Database IDs

• CAS Number: 15292-44-1
• EC Number: 236-702-0
• MDL Number: MFCD00213810
• PubChem SID: 24859545; 162232206
• PubChem CID: 71310089

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.9%
• Linear Formula: Sc2(SO4)3·5H2O

DETAILS

Sigma Aldrich - 325910

Packaging
1 g in glass bottle
Application
Reactant in thermal decomposition1