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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235997
CHEMBL1235997
Compound Name SULFUR DIOXIDE
ChEMBL Synonyms SULFUR DIOXIDE | E220
Max Phase 0
Trade Names
Molecular Formula O2S

Additional synonyms for CHEMBL1235997 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=S=O
Standard InChI InChI=1S/O2S/c1-3-2
Standard InChI Key RAHZWNYVWXNFOC-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1235997

Molecule Features

CHEMBL1235997 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SULFUR DIOXIDE
The Cochrane Collaboration SULFUR DIOXIDE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
64.1 63.9619 -0.05 0 45.44 -


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
- - - - 0 3 0.4

Structural Alerts

There are no structural alerts for CHEMBL1235997

Compound Cross References

ChemSpider ChemSpider:RAHZWNYVWXNFOC-UHFFFAOYSA-N
Wikipedia Sulfur_dioxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235997



ACToR 12624-32-7 12396-99-5 7446-09-5
Atlas sulfur dioxide
Brenda 16161 167851
ChEBI 18422
eMolecules 495598
EPA CompTox Dashboard DTXSID6029672
FDA SRS 0UZA3422Q4
Human Metabolome Database HMDB34834
KEGG Ligand C09306
Mcule MCULE-5418662043
Metabolights MTBLC18422
Nikkaji J3.737K
NMRShiftDB 20148800
PDBe SO2
PubChem 1119
PubChem: Thomson Pharma 14940409
SureChEMBL SCHEMBL92

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