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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15580
CHEMBL15580
Compound Name METHYLSULFANYLMETHANE
ChEMBL Synonyms Dimethyl Sulfide | Methylsulfanylmethane
Max Phase 0
Trade Names
Molecular Formula C2H6S

Additional synonyms for CHEMBL15580 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSC
Standard InChI InChI=1S/C2H6S/c1-3-2/h1-2H3
Standard InChI Key QMMFVYPAHWMCMS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15580

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
62.1 62.019 0.8 0 25.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .98 .98 0 3 0.41

Structural Alerts

There are no structural alerts for CHEMBL15580

Compound Cross References

ChemSpider ChemSpider:QMMFVYPAHWMCMS-UHFFFAOYSA-N
Wikipedia Dimethyl_sulfide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15580



ACToR 75-18-3 31533-72-9
Brenda 2959 3812
ChEBI 17437
eMolecules 493755
EPA CompTox Dashboard DTXSID9026398
FDA SRS QS3J7O7L3U
Human Metabolome Database HMDB0002303
KEGG Ligand C00580
Mcule MCULE-4525381422
Metabolights MTBLC17437
MolPort MolPort-003-928-951
Nikkaji J1.443E J1.300.429C
NMRShiftDB 10016667
PDBe MSM
PubChem 1068
PubChem: Thomson Pharma 15296871
Rhea 17437
SureChEMBL SCHEMBL1618

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