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Lithium Sulfate
CAS: 10377-48-7 | H2Li2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10377-48-7
Molecular Formula:
H2Li2O4S
Molecular Weight:
111.96099999999998 g/mol
Names and Synonyms:
Lithium Sulfate
Sulfuric acid, lithium salt (1:2)
Sulfuric acid, dilithium salt
Lithium sulfate
Dilithium sulfate
Dilithium sulfate (Li2SO4)
Lithium sulphate
Lithium sulfate (Li2SO4)
Lithiophor
Lithium-Duriles
Li2SO4
Identifiers:
SMILES:
O=S(=O)(O)O.[Li].[Li]
InChI:
InChI=1S/2Li.H2O4S/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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 111.96099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.99938864400002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 | 74.60000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.4143999999999997 | RDKit |
| molecular_mass | 111.96 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_sulfate None | Legacy Database |
| cas-canonical-smile | [Li].O=S(=O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=NFVRHOFRBZQKEO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 535 °C None | Legacy Database |
| cas-name | Lithium sulfate None | Legacy Database |
| wikipedia-name | Lithium sulfate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.6854 | RDKit |
