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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1332314
CHEMBL1332314
Compound Name DISULFOTON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H19O2PS3

Additional synonyms for CHEMBL1332314 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=S)(OCC)SCCSCC
Standard InChI InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2 ...
Download InChI
Standard InChI Key DOFZAZXDOSGAJZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1332314

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
274.4 274.0285 2.95 9 110.96 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.06 4.06 0 14 0.47

Structural Alerts

There are 8 structural alerts for CHEMBL1332314. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B19 - DISULFOTON
ChemSpider ChemSpider:DOFZAZXDOSGAJZ-UHFFFAOYSA-N
PubChem SID: 144209541 SID: 144211178 SID: 17389571 SID: 26753025 SID: 49718215

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1332314



ACToR 298-04-4
Brenda 11915
ChEBI 38661
eMolecules 508489
EPA CompTox Dashboard DTXSID0022018
FDA SRS 3CY5EKL6MT
IBM Patent System C8C26498125F7604E59FB2672D2A769B
KEGG Ligand C18400
Nikkaji J2.982C
NMRShiftDB 20207872
PubChem 3118
PubChem: Thomson Pharma 14947765
SureChEMBL SCHEMBL27180
ZINC ZINC000002040888

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