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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

Structural Alerts

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

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

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
ChEBI 45223
DrugBank DB03329
eMolecules 525882 2726312
FDA SRS EE982KT952
IBM Patent System AA4C85B7E9C880B573AA7E1DB7BAE498 8EE34EE3F6DC849FD82DF56F4E1BF799
IBM Patents WO2009073751A2 US7419986 WO1998054139A1 EP0333154A2 WO2010058318A1 EP1421091A1 WO2004074283A1 US20090247742 EP0307175A2 EP0322003A2 EP0570006A1 US7153975 US7276524 US7553358 WO2001034154A1 EP1435953A1 EP1200430A1 EP0720599A1 US6200997 US7253286 US20030004210 US5420273 EP0670514A2 WO2009005137A2 US20020123529 EP0347840A2 US7854860 US20050124682 EP1349847B1 US20100060829 EP0438148A3 US5541334 US6270952 US20090205116 WO2010023678A1 US4665067 US5994546 EP0469022A1 US6660744 EP1379528A1 US5912322 WO1996015118A1 US6590103 US4304781 WO1997045236A1 US7297797 US7049379 EP0783366A1 US7078013 EP1448546A1 US5246926 US5852046 EP0837055A1 US20040029826 US20040024262 US4888047 US7316829 US20040072109 US7556918 EP0886179B1 US6340701 US7029523 US20040247924 EP0677045A1 EP0299379B1 EP1223171A1 EP0798597A1 US6162809 EP0842191A2 WO1998050029A1 EP1697579A1 EP0387087B1 WO2010069504A1 US20080038452 US20040044071 US4294970 EP0547690A1 US6169056 WO2001028339A2 US20070203101 US20100068260 US20080293566 WO2002016409A2 EP1349847A1 EP0563985A1 US20040194659 US7208035 US20080031883 EP0318214A1 US7317108 US20040248907 US4083989 US4847271 US20040187734 WO2005082884A2 WO1993025225A1 US20050079208 WO2004074246A2 US5578593 EP0703726A1
Mcule MCULE-7596777399
MolPort MolPort-000-156-720
Nikkaji J51.344J
PDBe PYS
PubChem 2723698
PubChem: Thomson Pharma 16019621 15119753
SureChEMBL SCHEMBL54576
ZINC ZINC00403023

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