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Molecule
Cobalt Sulfide
CAS: 1317-42-6 · CoS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1317-42-6
- Molecular Formula
- CoS
- Molecular Mass
- 91.00 g/mol
Identifiers
CAS Registry Number
1317-42-6
SMILES
[Co].[S]
InChI Key
VRRFSFYSLSPWQY-UHFFFAOYSA-N
InChI
InChI=1S/Co.S
Names and Synonyms
- Cobalt Sulfide Common Name
- Cobalt sulfide (CoS) Synonym
- Cobaltous sulfide Synonym
- Cobalt monosulfide Synonym
- Cobalt sulfide Synonym
- Cobalt(2+) sulfide Synonym
- Cobalt(II) sulfide Synonym
- Cobalt sulfide (Co0.5S0.5) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 91.00 g/mol | CAS Common Chemistry |
| 91.0 g/mol | RDKit | |
| 95.025 g/mol | chempirical lib | |
| Density | 5.45 g/cm³ | CAS Common Chemistry |
| 5.45 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cobalt_sulfide | CAS Common Chemistry |
| Canonical SMILES | S=[Co] | CAS Common Chemistry |
| InChI | InChI=1S/Co.S | CAS Common Chemistry |
| InChI Key | InChIKey=VRRFSFYSLSPWQY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1182 °C | CAS Common Chemistry |
| Name | Cobalt sulfide (CoS) | CAS Common Chemistry |
| Cobalt sulfide | CAS Common Chemistry | |
| Heavy Atom Count | 2 | 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 | 0.6457 | RDKit |
| Molar Refractivity | 7.591 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 90.905266 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 91.00 g/mol; density = 5.450 g/mL. Edit any field — others recompute live.
