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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL163100
CHEMBL163100
Compound Name SULFURIC ACID DIETHYL ESTER
ChEMBL Synonyms Sulfuric acid diethyl ester
Max Phase 0
Trade Names
Molecular Formula C4H10O4S

Additional synonyms for CHEMBL163100 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOS(=O)(=O)OCC
Standard InChI InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
Standard InChI Key DENRZWYUOJLTMF-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL163100

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
154.2 154.03 0.17 4 60.98 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.14 1.14 0 9 0.58

Structural Alerts

There are 10 structural alerts for CHEMBL163100. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DENRZWYUOJLTMF-UHFFFAOYSA-N
PubChem SID: 144209600 SID: 144210489
Wikipedia Diethyl_sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL163100



ACToR 182115-04-4 64-67-5
ChEBI 34699
eMolecules 497373
EPA CompTox Dashboard DTXSID1024045
FDA SRS K0FO4VFA7I
IBM Patent System BBD5DE4A9E8DB0965A193AC0708C146D
KEGG Ligand C14706
Mcule MCULE-1621267036
MolPort MolPort-003-929-978
Nikkaji J2.811H
NMRShiftDB 10016720
PubChem 6163
PubChem: Thomson Pharma 15291626
SureChEMBL SCHEMBL1769

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