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Sulfuric Acid, Lithium Salt, Hydrate (1:2:1)
CAS: 10102-25-7 | H4Li2O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10102-25-7
Molecular Formula:
H4Li2O5S
Molecular Weight:
129.97599999999997 g/mol
Names and Synonyms:
Sulfuric Acid, Lithium Salt, Hydrate (1:2:1)
Sulfuric acid, lithium salt, hydrate (1:2:1)
Sulfuric acid, dilithium salt, monohydrate
Lithium mesosulfate
Dilithium sulfate monohydrate
Lithium sulfate monohydrate
Lithium sulfate (Li2SO4) monohydrate
Peramin AXL 80
Identifiers:
SMILES:
O.O=S(=O)(O)O.[Li].[Li]
InChI:
InChI=1S/2Li.H2O4S.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.98 g/mol | Legacy Database |
| cas-canonical-smile | [Li].O=S(=O)(O)O.O None | Legacy Database |
| cas-inchi | InChI=1S/2Li.H2O4S.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YXUBOVYBMFWYOG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sulfuric acid, lithium salt, hydrate (1:2:1) None | Legacy Database |
| LogP | -2.2391 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.97599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.00995332800002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 | 106.10000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.2992 | RDKit |
