chempirical

Barium thiosulfate

BaO3S2CAS 35112-53-9249.44 g/mol

Open in Covalent MOL file
O−SO−OSBa2+

Properties

Molecular formula
BaO3S2
Molar mass
249.44 g/mol
Exact mass
249.8341 Da
logP
-0.70Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
35112-53-9
SMILES
[O-]S([O-])(=O)=S.[Ba+2]
InChIKey
XCZBFCHJJROFFY-UHFFFAOYSA-N
InChI
InChI=1S/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)

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Names and synonyms

2 names
  • Thiosulfuric acid (H2S2O3), barium salt (1:1)
  • Barium thiosulfate (BaS2O3)

Work with Barium thiosulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Magnesium thiosulfate10124-53-567 % similar Potassium thiosulfate10294-66-367 % similar Sodium thiosulfate7772-98-767 % similar Sodium thiosulfate pentahydrate10102-17-757 % similar Barite13462-86-742 % similar Barium sulfate7727-43-742 % similar Barium bis(trifluoromethanesulfonate)2794-60-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook