ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25028
CHEMBL25028
Compound Name METHANESULFONYLMETHANE
ChEMBL Synonyms Methanesulfonylmethane
Max Phase 0
Trade Names
Molecular Formula C2H6O2S

Additional synonyms for CHEMBL25028 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)C
Standard InChI InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
Standard InChI Key HHVIBTZHLRERCL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25028

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
94.1 94.0089 -0.34 0 34.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.07 -1.07 0 5 0.41

Structural Alerts

There are no structural alerts for CHEMBL25028

Compound Cross References

ChemSpider ChemSpider:HHVIBTZHLRERCL-UHFFFAOYSA-N
PubChem SID: 251919780 SID: 26750007
Wikipedia Methylsulfonylmethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25028



ACToR 54841-73-5 67-71-0
BindingDB 50026473
Brenda 166106 82540
ChEBI 9349
ChemicalBook CB2193076
DrugBank DB14090
eMolecules 506257
EPA CompTox Dashboard DTXSID4043937
FDA SRS 9H4PO4Z4FT
Human Metabolome Database HMDB0004983
IBM Patent System 332FF6671D7C2295E9DED6B337E4FE6B D927CFF8699F48E5BBFAF43DE73DFE3A
KEGG Ligand C11142
Mcule MCULE-3320409932
MolPort MolPort-003-666-648
Nikkaji J1.130.893G J1.412E
NMRShiftDB 10016696
PubChem 6213
PubChem: Thomson Pharma 15119672
Rhea 9349
SureChEMBL SCHEMBL19382
ZINC ZINC000004658606

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