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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1644028
CHEMBL1644028
Compound Name THIOCYANATE SODIUM
ChEMBL Synonyms SODIUM SULFOCYANATE | THIOCYANATE SODIUM | SODIUM RHODANATE
Max Phase 0
Trade Names
Molecular Formula CNNaS

Additional synonyms for CHEMBL1644028 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1644028

Molecule Features

CHEMBL1644028 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 THIOCYANATE SODIUM
The Cochrane Collaboration THIOCYANATE SODIUM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

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


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 CHEMBL1644028

Compound Cross References

ChemSpider ChemSpider:VGTPCRGMBIAPIM-UHFFFAOYSA-M
PubChem SID: 144208819 SID: 144213292
Wikipedia Sodium_thiocyanate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1644028



ACToR 104345-12-2 540-72-7
BindingDB 50098587
Brenda 10731 17295
ChEBI 30952
eMolecules 712616 29700148
EPA CompTox Dashboard DTXSID4021343
FDA SRS 5W0K9HKA05
MolPort MolPort-001-785-621
Nikkaji J44.071J
PubChem 516871
PubChem: Thomson Pharma 16165725 15218646
SureChEMBL SCHEMBL36260

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