dithulium(3+) ion trisulfate

• ChemBase ID: 152900
• Molecular Formular: O12S3Tm2
• Molecular Mass: 626.05622
• Monoisotopic Mass: 625.72361444
• SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tm+3].[Tm+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tm+3].[Tm+3]
• InChI: InChI=1S/3H2O4S.2Tm/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6
• InChIKey: NEEAOWXTIOQDFM-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dithulium(3+) ion trisulfate
• IUPAC Traditional name: dithulium(3+) ion trisulfate
• Synonyms: Thulium(III) sulfate; 硫酸铥(III)

Database IDs

• CAS Number: 20731-62-8
• EC Number: 243-996-4
• MDL Number: MFCD00011284
• PubChem SID: 24880777; 162247043
• PubChem CID: 167926

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: false

PROPERTIES

Physical Property

• Apperance: solid

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36

Product Information

• Purity: ≥99.99%
• Linear Formula: Tm2(SO4)3

DETAILS

Sigma Aldrich - 575097

Packaging
1, 5 g in glass bottle