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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106973
CHEMBL2106973
Compound Name POTASSIUM THIOCYANATE
ChEMBL Synonyms POTASSIUM THIOCYANATE
Max Phase 0
Trade Names
Molecular Formula CKNS

Additional synonyms for CHEMBL2106973 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[S-]C#N
Standard InChI InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1
Standard InChI Key ZNNZYHKDIALBAK-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106973

Molecule Features

CHEMBL2106973 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov POTASSIUM THIOCYANATE
The Cochrane Collaboration POTASSIUM THIOCYANATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
97.2 96.9389 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL2106973

Compound Cross References

ChemSpider ChemSpider:ZNNZYHKDIALBAK-UHFFFAOYSA-M
PubChem SID: 144207679

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106973



ACToR 333-20-0 14314-32-0
Brenda 20474 46297
ChEBI 30951
eMolecules 514214 497116
EPA CompTox Dashboard DTXSID7029619
FDA SRS TM7213864A
MolPort MolPort-000-158-374 MolPort-001-768-948
Nikkaji J3.633A
PubChem 516872
PubChem: Thomson Pharma 16105096 15194240
SureChEMBL SCHEMBL319

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZNNZYHKDIALBAK-UHFFFAOYSA-M spacer
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