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Molecule
Lanthanum Sulfide (Las2)
CAS: 12325-81-4 · LaS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12325-81-4
- Molecular Formula
- LaS2
- Molecular Mass
- 203.04 g/mol
Identifiers
CAS Registry Number
12325-81-4
SMILES
[La].[S].[S]
InChI Key
CALMGQZOHAOVBB-UHFFFAOYSA-N
InChI
InChI=1S/La.2S
Names and Synonyms
- Lanthanum Sulfide (Las2) Common Name
- Lanthanum sulfide (LaS2) Synonym
- Lanthanum disulfide Synonym
- Lanthanum disulfide (LaS2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | S=[La]=S | CAS Common Chemistry |
| InChI | InChI=1S/La.2S | CAS Common Chemistry |
| Molecular Mass | 203.04 g/mol | CAS Common Chemistry |
| 203.04000000000002 g/mol | RDKit | |
| 210.081 g/mol | chempirical lib | |
| InChI Key | InChIKey=CALMGQZOHAOVBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lanthanum sulfide (LaS2) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.2964 | RDKit |
| Molar Refractivity | 15.182 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 202.8504953 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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.
External Resources
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MW = 203.04 g/mol. Edit any field — others recompute live.
