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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 Weight:
118.02600000000001 g/mol
Names and Synonyms:
Cobalt(Ii) Thiocyanate
Thiocyanic acid, cobalt(2+) salt (2:1)
Cobalt thiocyanate
Thiocyanic acid, cobalt(2+) salt
Cobaltous thiocyanate
Cobalt rhodanide
Cobalt dithiocyanate
Isothiocyanic acid cobalt(2+) salt
Cobalt(II) thiocyanate
Cobalt isothiocyanate
Cobalt(2+) thiocyanate
Scott's reagent
Identifiers:
SMILES:
N#CS.[Co]
InChI:
InChI=1S/CHNS.Co/c2-1-3;/h3H;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.02600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.916165032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 23.79 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3947800000000001 | RDKit |
| molecular_mass | 118.03 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cobalt(II)_thiocyanate None | Legacy Database |
| cas-canonical-smile | [Co].N#CS None | Legacy Database |
| cas-inchi | InChI=1S/CHNS.Co/c2-1-3;/h3H; None | Legacy Database |
| cas-inchi-key | InChIKey=RZUKIPMMIMKHSF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cobalt(II) thiocyanate None | Legacy Database |
| wikipedia-name | Cobalt(II) thiocyanate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.599 | RDKit |
