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Cobalt Sulfide (Cos2)
CAS: 12013-10-4 | CoS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12013-10-4
Molecular Formula:
CoS2
Molecular Mass:
123.07 g/mol
Names and Synonyms:
Cobalt Sulfide (Cos2)
Cobalt sulfide (CoS2)
Cobalt disulfide (CoS2)
Cobalt disulfide
Identifiers:
SMILES:
[Co].[S].[S]
InChI:
InChI=1S/Co.2S
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.07 g/mol | CAS Common Chemistry |
| 123.06700000000001 g/mol | RDKit | |
| 122.877337 g/mol | RDKit | |
| Canonical SMILES | S=[Co]=S | CAS Common Chemistry |
| InChI | InChI=1S/Co.2S | CAS Common Chemistry |
| InChI Key | InChIKey=XUKVMZJGMBEQDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cobalt sulfide (CoS2) | 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 | RDKit |
