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Potassium Selenocyanate
CAS: 3425-46-5 | CHKNSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3425-46-5
Molecular Formula:
CHKNSe
Molecular Weight:
145.084 g/mol
Names and Synonyms:
Potassium Selenocyanate
Selenocyanic acid, potassium salt (1:1)
Selenocyanic acid, potassium salt
Potassium selenocyanate
Monopotassium selenocyanate
Potassium selenoisocyanate
Potassium isoselenocyanate
Potassium selenocyanate (KSeCN)
Identifiers:
SMILES:
N#C[SeH].[K]
InChI:
InChI=1S/CHNSe.K/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 145.08 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Potassium_selenocyanate None | Legacy Database |
| cas-canonical-smile | [K].N#C[SeH] None | Legacy Database |
| cas-inchi | InChI=1S/CHNSe.K/c2-1-3;/h3H; None | Legacy Database |
| cas-inchi-key | InChIKey=JRQIZBUXMVMQKA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Potassium selenocyanate None | Legacy Database |
| wikipedia-name | Potassium selenocyanate None | Legacy Database |
| LogP | -1.01252 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.084 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.891127012 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 23.79 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.516 | RDKit |
