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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235541
CHEMBL1235541
Compound Name 2-MERCAPTOPYRIDINE
ChEMBL Synonyms 2-Mercaptopyridine
Max Phase 0
Trade Names
Molecular Formula C5H5NS

Additional synonyms for CHEMBL1235541 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Sc1ccccn1
Standard InChI InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Standard InChI Key WHMDPDGBKYUEMW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1235541

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
111.2 111.0143 1.58 0 51.69 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.22 9.6 .99 -1.27 1 7 0.52

Structural Alerts

There are 5 structural alerts for CHEMBL1235541. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WHMDPDGBKYUEMW-UHFFFAOYSA-N
Wikipedia 2-Mercaptopyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235541



ACToR 29468-20-0 1120-96-3 73018-10-7
Brenda 163911 104660
ChEBI 45223
DrugBank DB03329
eMolecules 525882 2726312
EPA CompTox Dashboard DTXSID9062568
FDA SRS EE982KT952
IBM Patent System AA4C85B7E9C880B573AA7E1DB7BAE498 8EE34EE3F6DC849FD82DF56F4E1BF799
Mcule MCULE-7596777399
MolPort MolPort-000-156-720
Nikkaji J51.344J
PDBe PYS
PubChem 2723698
PubChem: Thomson Pharma 16019621 15119753
SureChEMBL SCHEMBL54576
ZINC ZINC000000403023

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