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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2380741
CHEMBL2380741
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H11KOS2

Additional synonyms for CHEMBL2380741 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].CCCCCOC(=S)[S-]
Standard InChI InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/ ...
Download InChI
Standard InChI Key YIBBMDDEXKBIAM-UHFFFAOYSA-M

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2380741

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
164.3 164.033 2.41 4 9.23 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.97 - 2.99 -.68 0 9 0.39

Structural Alerts

There are 16 structural alerts for CHEMBL2380741. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YIBBMDDEXKBIAM-UHFFFAOYSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2380741



ACToR 2720-73-2
BindingDB 50004936
eMolecules 4393895
EPA CompTox Dashboard DTXSID2062610
MolPort MolPort-002-548-301
Nikkaji J68.134B
PubChem 493949
SureChEMBL SCHEMBL237261

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