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Molecule
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 Mass
- 145.084 g/mol
Identifiers
CAS Registry Number
3425-46-5
SMILES
N#C[SeH].[K]
InChI Key
JRQIZBUXMVMQKA-UHFFFAOYSA-N
InChI
InChI=1S/CHNSe.K/c2-1-3;/h3H;
Names and Synonyms
- Potassium Selenocyanate Synonym
- Selenocyanic acid, potassium salt (1:1) Synonym
- Selenocyanic acid, potassium salt Synonym
- Potassium selenocyanate Synonym
- Monopotassium selenocyanate Synonym
- Potassium selenoisocyanate Synonym
- Potassium isoselenocyanate Synonym
- Potassium selenocyanate (KSeCN) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_selenocyanate | CAS Common Chemistry |
| Canonical SMILES | [K].N#C[SeH] | CAS Common Chemistry |
| InChI | InChI=1S/CHNSe.K/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=JRQIZBUXMVMQKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium selenocyanate | CAS Common Chemistry |
| Molecular Mass | 145.084 g/mol | RDKit |
| 145.891127012 g/mol | RDKit | |
| 146.092 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | -1.01252 | RDKit |
| -1.0125 | RDKit | |
| Molar Refractivity | 18.516 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.08 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 145.08 g/mol. Edit any field — others recompute live.
