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Magnesium Thiosulfate
CAS: 10124-53-5 | H2MgO3S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10124-53-5
Molecular Formula:
H2MgO3S2
Molecular Mass:
138.45 g/mol
Names and Synonyms:
Magnesium Thiosulfate
Thiosulfuric acid (H2S2O3), magnesium salt (1:1)
Magnesium thiosulfate (MgS2O3)
Magnesium thiosulfate
MagThio
Magnesium thiosulfate (Mg(S2O3))
Identifiers:
SMILES:
O=S(O)(O)=S.[Mg]
InChI:
InChI=1S/Mg.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 | 138.45 g/mol | CAS Common Chemistry |
| 138.452 g/mol | RDKit | |
| 137.92957762400002 g/mol | RDKit | |
| Canonical SMILES | [Mg].O=S(=O)(O)S | CAS Common Chemistry |
| InChI | InChI=1S/Mg.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=WHPHLKMEDNZGII-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium thiosulfate | 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 |
