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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL107217
CHEMBL107217
Compound Name DITIOCARB SODIUM
ChEMBL Synonyms Ditiocarb sodium
Max Phase 0
Trade Names
Molecular Formula C5H10NNaS2

Additional synonyms for CHEMBL107217 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCN(CC)C(=S)[S-]
Standard InChI InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8); ...
Download InChI
Standard InChI Key IOEJYZSZYUROLN-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL107217

Molecule Features

CHEMBL107217 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

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
149.3 149.0333 1.54 2 3.24 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.42 .9 1.78 -.97 0 8 0.47

Structural Alerts

There are 11 structural alerts for CHEMBL107217. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IOEJYZSZYUROLN-UHFFFAOYSA-M
PubChem SID: 144205965 SID: 144207601 SID: 538917
Wikipedia Sodium_diethyldithiocarbamate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL107217



ACToR 143189-63-3 148-18-5
Brenda 107631 4052 109590 135575 6591
ChEBI 82587
eMolecules 1839915 10650464
EPA CompTox Dashboard DTXSID3022956
FDA SRS A5304YEB5E
KEGG Ligand C19599
MolPort MolPort-002-507-715
Nikkaji J5.843B
PubChem 533728
PubChem: Thomson Pharma 15321906 15947035
SureChEMBL SCHEMBL168133

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