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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

Structural Alerts

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

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

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
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 ZINC02040888

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