ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162150
CHEMBL162150
Compound Name SULFURIC ACID DIMETHYL ESTER
ChEMBL Synonyms Sulfuric acid dimethyl ester
Max Phase 0
Trade Names
Molecular Formula C2H6O4S

Additional synonyms for CHEMBL162150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COS(=O)(=O)OC
Standard InChI InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
Standard InChI Key VAYGXNSJCAHWJZ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL162150

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
126.1 125.9987 -0.53 2 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
- - .12 .12 0 7 0.5

Structural Alerts

There are 8 structural alerts for CHEMBL162150. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VAYGXNSJCAHWJZ-UHFFFAOYSA-N
PubChem SID: 144209230 SID: 144210953
Wikipedia Dimethyl_sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL162150



ACToR 77-78-1 139443-72-4
ChEBI 59050
eMolecules 483505
EPA CompTox Dashboard DTXSID5024055
FDA SRS JW5CW40Z50
IBM Patent System 291E108260067390EF47AF45C9C2C14E
KEGG Ligand C19177
Mcule MCULE-2861298645
MolPort MolPort-000-871-938
Nikkaji J2.823A
NMRShiftDB 10016719
PubChem 6497
PubChem: Thomson Pharma 15194461
SureChEMBL SCHEMBL1249

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