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Molecule
Cobalt(Ii) Thiocyanate
CAS: 3017-60-5 · CHCoNS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3017-60-5
- Molecular Formula
- CHCoNS
- Molecular Mass
- 118.03 g/mol
Identifiers
CAS Registry Number
3017-60-5
SMILES
N#CS.[Co]
InChI Key
RZUKIPMMIMKHSF-UHFFFAOYSA-N
InChI
InChI=1S/CHNS.Co/c2-1-3;/h3H;
Names and Synonyms
- Cobalt(Ii) Thiocyanate Synonym
- Thiocyanic acid, cobalt(2+) salt (2:1) Synonym
- Cobalt thiocyanate Synonym
- Thiocyanic acid, cobalt(2+) salt Synonym
- Cobaltous thiocyanate Synonym
- Cobalt rhodanide Synonym
- Cobalt dithiocyanate Synonym
- Isothiocyanic acid cobalt(2+) salt Synonym
- Cobalt(II) thiocyanate Synonym
- Cobalt isothiocyanate Synonym
- Cobalt(2+) thiocyanate Synonym
- Scott's reagent Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.03 g/mol | CAS Common Chemistry |
| 118.02600000000001 g/mol | RDKit | |
| 118.026 g/mol | RDKit | |
| 120.035 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cobalt(II)_thiocyanate | CAS Common Chemistry |
| Canonical SMILES | [Co].N#CS | CAS Common Chemistry |
| InChI | InChI=1S/CHNS.Co/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=RZUKIPMMIMKHSF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cobalt(II) thiocyanate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 0.3947800000000001 | RDKit |
| 0.3948 | RDKit | |
| Molar Refractivity | 14.599 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 117.916165032 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 = 118.03 g/mol. Edit any field — others recompute live.
