barium(2+) ion 1-oxo-1λ6-disulfene-1,1-bis(olate)

• ChemBase ID: 107554
• Molecular Formular: BaO3S2
• Molecular Mass: 249.4552
• Monoisotopic Mass: 249.83413286
• SMILES: [Ba+2].[O-]S(=O)(=S)[O-]
• Canonical SMILES: [O-]S(=S)(=O)[O-].[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 1-oxo-1λ^6-disulfene-1,1-bis(olate); barium(2+) ion 1-oxo-1$l^{6}-disulfene-1,1-bis(olate)
• IUPAC Traditional name: barium(2+) ion hypo; barium(2+) hypo
• Synonyms: Barium thiosulfate; BARIUM THIOSULFATE H2O; 硫代硫酸钡

Database IDs

• CAS Number: 35112-53-9
• EC Number: 252-375-7
• MDL Number: MFCD00040661
• PubChem SID: 162093903; 24867370
• PubChem CID: 169663

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1907825
• LogD (pH = 7.4): -2.3771908
• Log P: 0.048317563
• Molar Refractivity: 19.5183 cm^3
• Polarizability: 9.065478 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1564
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22; R:20/22
• Safety Statements: 28; S:28
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Purity: 98%
• Linear Formula: BaS2O3

DETAILS

MP Biomedicals - 05204150

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 437417

Packaging
250 g in poly bottle