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Molecule
Sulfuric Acid, Lithium Salt, Hydrate (1:2:1)
CAS: 10102-25-7 · H4Li2O5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10102-25-7
- Molecular Formula
- H4Li2O5S
- Molecular Mass
- 129.98 g/mol
Identifiers
CAS Registry Number
10102-25-7
SMILES
O.O=S(=O)(O)O.[Li].[Li]
InChI Key
YXUBOVYBMFWYOG-UHFFFAOYSA-N
InChI
InChI=1S/2Li.H2O4S.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2
Names and Synonyms
- Sulfuric Acid, Lithium Salt, Hydrate (1:2:1) Synonym
- Sulfuric acid, lithium salt, hydrate (1:2:1) Synonym
- Sulfuric acid, dilithium salt, monohydrate Synonym
- Lithium mesosulfate Synonym
- Dilithium sulfate monohydrate Synonym
- Lithium sulfate monohydrate Synonym
- Lithium sulfate (Li2SO4) monohydrate Synonym
- Peramin AXL 80 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.98 g/mol | CAS Common Chemistry |
| 130.00995332800002 g/mol | RDKit | |
| 129.976 g/mol | RDKit | |
| 131.985 g/mol | chempirical lib | |
| Canonical SMILES | [Li].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/2Li.H2O4S.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YXUBOVYBMFWYOG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sulfuric acid, lithium salt, hydrate (1:2:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
| 106.1 Ų | RDKit | |
| 115.83 Ų | chempirical lib | |
| LogP | -2.2391 | RDKit |
| Molar Refractivity | 29.2992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 129.97599999999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 129.98 g/mol. Edit any field — others recompute live.
