Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

PYS

Summary
Name:2-PYRIDINETHIOL
Formula:C5 H5 N S
Formal charge:0
Formula weight:111.165 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04pyridine-2-thiol
OpenEye OEToolkits1.5.0pyridine-2-thiol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Sc1ncccc1
SMILES_CANONICALCACTVS3.341Sc1ccccn1
SMILESCACTVS3.341Sc1ccccn1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccnc(c1)S
SMILESOpenEye OEToolkits1.5.0c1ccnc(c1)S
InChIInChI1.03InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyInChI1.03WHMDPDGBKYUEMW-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon