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Molecule
Platinum Disulfide
CAS: 12038-21-0 · PtS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12038-21-0
- Molecular Formula
- PtS2
- Molecular Mass
- 259.21 g/mol
Identifiers
CAS Registry Number
12038-21-0
SMILES
[Pt].[S].[S]
InChI Key
RKNFJIIYAUSTJA-UHFFFAOYSA-N
InChI
InChI=1S/Pt.2S
Names and Synonyms
- Platinum Disulfide Synonym
- Platinum sulfide (PtS2) Synonym
- Platinum disulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 259.21 g/mol | CAS Common Chemistry |
| 259.212 g/mol | RDKit | |
| 265.252 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Platinum_disulfide | CAS Common Chemistry |
| Canonical SMILES | S=[Pt]=S | CAS Common Chemistry |
| InChI | InChI=1S/Pt.2S | CAS Common Chemistry |
| InChI Key | InChIKey=RKNFJIIYAUSTJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Platinum sulfide (PtS2) | 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 | 1.2939 | RDKit |
| Molar Refractivity | 15.182 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 258.9089331 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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100
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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 = 259.21 g/mol. Edit any field — others recompute live.
