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Thiosulfuric Acid (H2S2O3), Barium Salt (1:1)
CAS: 35112-53-9 | H2BaO3S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35112-53-9
Molecular Formula:
H2BaO3S2
Molecular Mass:
251.48 g/mol
Names and Synonyms:
Thiosulfuric Acid (H2S2O3), Barium Salt (1:1)
Thiosulfuric acid (H2S2O3), barium salt (1:1)
Barium thiosulfate
Barium thiosulfate (BaS2O3)
Identifiers:
SMILES:
O=S(O)(O)=S.[Ba]
InChI:
InChI=1S/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.48 g/mol | CAS Common Chemistry |
| 251.475 g/mol | RDKit | |
| 251.849783124 g/mol | RDKit | |
| Canonical SMILES | [Ba].O=S(=O)(O)S | CAS Common Chemistry |
| InChI | InChI=1S/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=XCZBFCHJJROFFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Thiosulfuric acid (H2S2O3), barium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.7020999999999997 | RDKit |
| Molar Refractivity | 26.519 | RDKit |
