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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1379
CHEMBL1379
Compound Name TETRAHYDROTHIOPHENE
ChEMBL Synonyms Tetrahydrothiophene
Max Phase 0
Trade Names
Molecular Formula C4H8S

Additional synonyms for CHEMBL1379 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCSC1
Standard InChI InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
Standard InChI Key RAOIDOHSFRTOEL-UHFFFAOYSA-N

Sources

  • Curated Drug Metabolism Pathways
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1379

Metabolites for CHEMBL1379

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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
88.2 88.0347 1.26 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
- - 1.61 1.61 0 5 0.44

Structural Alerts

There are no structural alerts for CHEMBL1379

Compound Cross References

ChemSpider ChemSpider:RAOIDOHSFRTOEL-UHFFFAOYSA-N
PubChem SID: 251919825
Wikipedia Tetrahydrothiophene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1379



ACToR 110-01-0
Brenda 164992 44872 44871
ChEBI 48458
eMolecules 508557
EPA CompTox Dashboard DTXSID3047760
FDA SRS 744EHT13FM
Mcule MCULE-4519380555
MolPort MolPort-000-158-587
Nikkaji J2.444I
NMRShiftDB 10016047
PubChem 1127
PubChem: Thomson Pharma 14747369
SureChEMBL SCHEMBL9127
ZINC ZINC000001680812

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