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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 Weight:
138.452 g/mol
Names and Synonyms:
Magnesium Thiosulfate
MagThio
Magnesium thiosulfate
Magnesium thiosulfate (Mg(S2O3))
Magnesium thiosulfate (MgS2O3)
Thiosulfuric acid (H2S2O3), magnesium salt (1:1)
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
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.452 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.92957762400002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7020999999999997 | RDKit |
| molecular_mass | 138.45 g/mol | Legacy Database |
| cas-canonical-smile | [Mg].O=S(=O)(O)S None | Legacy Database |
| cas-inchi | InChI=1S/Mg.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=WHPHLKMEDNZGII-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Magnesium thiosulfate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.519 | RDKit |
