barium(2+) ion sulfanidesulfonate

• ChemBase ID: 295345
• Molecular Formular: BaO3S2
• Molecular Mass: 249.4552
• Monoisotopic Mass: 249.83413286
• SMILES: [O-]S(=O)(=O)[S-].[Ba+2]
• Canonical SMILES: [O-]S(=O)(=O)[S-].[Ba+2]
• InChI: InChI=1S/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
• InChIKey: ONPIOWQPHWNPOQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion sulfanidesulfonate
• IUPAC Traditional name: barium(2+) ion thiosulphate
• Synonyms: Barium thiosulfate; 硫代硫酸钡

Database IDs

• CAS Number: 35112-53-9
• EC Number: 252-375-7
• MDL Number: MFCD00040661
• PubChem SID: 180680876
• PubChem CID: 169663

CALCULATED PROPERTIES

• Acid pKa: -2.278655
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.472368
• LogD (pH = 7.4): -2.4723697
• Log P: -0.095971
• Molar Refractivity: 19.5183 cm^3
• Polarizability: 8.919265 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 3.45

Safety Information

• European Hazard Symbols: X
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P302+P352

Product Information

• Purity: 98%