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Lithium Sulfide
CAS: 12136-58-2 | Li2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12136-58-2
Molecular Formula:
Li2S
Molecular Weight:
45.949 g/mol
Names and Synonyms:
Lithium Sulfide
Common Name
Dilithium monosulfide
Synonym
Lithium sulfide
Synonym
Dilithium sulfide
Synonym
Lithium sulfide (Li2S)
Synonym
Identifiers:
SMILES:
[Li].[Li].[S]
InChI:
InChI=1S/2Li.S
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 45.95 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_sulfide None | Legacy Database |
| cas-canonical-smile | [Li]S[Li] None | Legacy Database |
| cas-inchi | InChI=1S/2Li.S None | Legacy Database |
| cas-inchi-key | InChIKey=ZWDBUTFCWLVLCQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 900-975 °C None | Legacy Database |
| cas-name | Lithium sulfide None | Legacy Database |
| wikipedia-name | Lithium sulfide None | Legacy Database |
| LogP | -0.11340000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 45.949 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 46.004080099999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.099 | RDKit |