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Potassium Thiocyanate
CAS: 333-20-0 | CHKNS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
333-20-0
Molecular Formula:
CHKNS
Molecular Mass:
98.19 g/mol
Names and Synonyms:
Potassium Thiocyanate
Potassium rhodanate
Rhocya
Potassium thiocyanide
Potassium isothiocyanate
Arterocyn
Kyonate
Rodanca
Thio-Cara
Thiocyanic acid, potassium salt (1:1)
Potassium thiocyanate
Thiocyanic acid, potassium salt
Aterocyn
Identifiers:
SMILES:
N#CS.[K]
InChI:
InChI=1S/CHNS.K/c2-1-3;/h3H;
Key Properties
Melting Point
173 °C
CAS Common Chemistry
Density
1.96 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.19 g/mol | CAS Common Chemistry |
| 98.191 g/mol | RDKit | |
| 97.946676712 g/mol | RDKit | |
| Density | 1.96 g/cm³ | CAS Common Chemistry |
| 1.956 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_thiocyanate | CAS Common Chemistry |
| Canonical SMILES | [K].N#CS | CAS Common Chemistry |
| InChI | InChI=1S/CHNS.K/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=RIGKFHICSISZKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173 °C | CAS Common Chemistry |
| Name | Potassium 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 | 0.016479999999999995 | RDKit |
| Molar Refractivity | 20.352999999999998 | RDKit |
