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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL174477
CHEMBL174477
Compound Name
ChEMBL Synonyms Ethanesulfinyl-Ethane
Max Phase 0
Trade Names
Molecular Formula C4H10OS

Additional synonyms for CHEMBL174477 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[S+]([O-])CC
Standard InChI InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3
Standard InChI Key CCAFPWNGIUBUSD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL174477

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
106.2 106.0452 0.38 2 36.28 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.39 -.39 0 6 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL174477. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CCAFPWNGIUBUSD-UHFFFAOYSA-N
Wikipedia Diethyl_sulfoxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL174477



ACToR 70-29-1
EPA CompTox Dashboard DTXSID70220253
FDA SRS 030Z61382M
IBM Patent System 080223488965B0D40C9DF2DDCD07B1A5
Nikkaji J5.244B
NMRShiftDB 30000605
PubChem 6263
PubChem: Thomson Pharma 14867178
SureChEMBL SCHEMBL45153
ZINC ZINC000002041298

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