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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 Weight: 98.191 g/mol

Names and Synonyms:

Potassium Thiocyanate
Aterocyn
Thiocyanic acid, potassium salt
Potassium thiocyanate
Thiocyanic acid, potassium salt (1:1)
Thio-Cara
Rodanca
Kyonate
Arterocyn
Potassium isothiocyanate
Potassium thiocyanide
Rhocya
Potassium rhodanate

Identifiers:

SMILES:
N#CS.[K]
InChI:
InChI=1S/CHNS.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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 98.19 g/mol Legacy Database
density 1.96 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Potassium_thiocyanate None Legacy Database
cas-canonical-smile [K].N#CS None Legacy Database
cas-density 1.956 g/cm3 None Legacy Database
cas-inchi InChI=1S/CHNS.K/c2-1-3;/h3H; None Legacy Database
cas-inchi-key InChIKey=RIGKFHICSISZKP-UHFFFAOYSA-N None Legacy Database
cas-melting-point 173 °C None Legacy Database
cas-name Potassium thiocyanate None Legacy Database
wikipedia-name Potassium thiocyanate None Legacy Database
LogP 0.016479999999999995 RDKit

Molecular

Property Value Source
Molecular Weight 98.191 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 97.946676712 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

Molar

Property Value Source
Molar Refractivity 20.352999999999998 RDKit

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