Back to Search
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 Weight:
123.06700000000001 g/mol
Names and Synonyms:
Cobalt Sulfide (Cos2)
Cobalt disulfide
Cobalt disulfide (CoS2)
Cobalt sulfide (CoS2)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 123.07 g/mol | Legacy Database |
| cas-canonical-smile | S=[Co]=S None | Legacy Database |
| cas-inchi | InChI=1S/Co.2S None | Legacy Database |
| cas-inchi-key | InChIKey=XUKVMZJGMBEQDE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cobalt sulfide (CoS2) None | Legacy Database |
| LogP | 1.2939 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.06700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.877337 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 | 15.182 | RDKit |
