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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

Structural Alerts

There are no structural alerts for CHEMBL15580

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

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
ChEBI 17437
eMolecules 493755
FDA SRS QS3J7O7L3U
Human Metabolome Database HMDB02303
KEGG Ligand C00580
MolPort MolPort-003-928-951
Nikkaji J1.443E J1.300.429C
NMRShiftDB 10016667
PDBe MSM
PubChem 1068
PubChem: Thomson Pharma 15296871
SureChEMBL SCHEMBL1618
ZINC ZINC25783202

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