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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL462861
CHEMBL462861
Compound Name
ChEMBL Synonyms 1,2-Diphenyldisulfane
Max Phase 0
Trade Names
Molecular Formula C12H10S2

Additional synonyms for CHEMBL462861 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES S(Sc1ccccc1)c2ccccc2
Standard InChI InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1- ...
Download InChI
Standard InChI Key GUUVPOWQJOLRAS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL462861

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
218.3 218.0224 4.54 3 50.6 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.41 4.41 2 14 0.71

Structural Alerts

There are 8 structural alerts for CHEMBL462861. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GUUVPOWQJOLRAS-UHFFFAOYSA-N
PubChem SID: 144207926 SID: 8139960
Wikipedia Diphenyl_disulfide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL462861



ACToR 882-33-7
eMolecules 484972
EPA CompTox Dashboard DTXSID6022131
FDA SRS 7P54H519IJ
Human Metabolome Database HMDB0031823
IBM Patent System A6FE4567E977F96286D89E20DFFE5E59
Mcule MCULE-7771633673
MolPort MolPort-000-155-014
Nikkaji J2.117B
NMRShiftDB 30000630
PubChem 13436
PubChem: Thomson Pharma 14818923
SureChEMBL SCHEMBL5148
ZINC ZINC000001641089

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