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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278958
CHEMBL278958
Compound Name THIOPHENE
ChEMBL Synonyms Thiophene
Max Phase 0
Trade Names
Molecular Formula C4H4S

Additional synonyms for CHEMBL278958 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccsc1
Standard InChI InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
Standard InChI Key YTPLMLYBLZKORZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278958

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
84.1 84.0034 1.75 0 0 -


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
- - 1.95 1.95 1 5 0.45

Structural Alerts

There are no structural alerts for CHEMBL278958

Compound Cross References

ChemSpider ChemSpider:YTPLMLYBLZKORZ-UHFFFAOYSA-N
PubChem SID: 144207200 SID: 17388691
Wikipedia Thiophene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278958



ACToR 25233-34-5 110-02-1
Brenda 57370
ChEBI 30856
eMolecules 476163
EPA CompTox Dashboard DTXSID8026145
FDA SRS SMB37IQ40B
Human Metabolome Database HMDB0029718
Mcule MCULE-5759025979
MolPort MolPort-000-165-813
Nikkaji J2.445G
NMRShiftDB 10341
PubChem 8030
PubChem: Thomson Pharma 14842796
SureChEMBL SCHEMBL243
ZINC ZINC000001597767

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