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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3410462
CHEMBL3410462
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula Na2O4S2

Additional synonyms for CHEMBL3410462 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[O-]S(=O)S(=O)[O-]
Standard InChI InChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/ ...
Download InChI
Standard InChI Key JVBXVOWTABLYPX-UHFFFAOYSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3410462

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
130.2 129.9395 -0.66 1 74.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.79 - -2.59 -7.09 0 6 0.36

Structural Alerts

There are 7 structural alerts for CHEMBL3410462. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JVBXVOWTABLYPX-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3410462



ACToR 7775-14-6 1340-77-8
Brenda 3230 6661 109591
ChEBI 66870
eMolecules 480984
EPA CompTox Dashboard DTXSID9029697
FDA SRS 2K5B8F6ES1
MolPort MolPort-003-926-324
Nikkaji J41.404B
PubChem 11073896 24489
PubChem: Thomson Pharma 15120501
SureChEMBL SCHEMBL1471

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