Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:00 UTC
Update Date2025-03-25 00:46:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155844
Frequency0.5
Structure
Chemical FormulaC9H10N2S
Molecular Mass178.0565
SMILESCSCc1c[nH]c2cnccc12
InChI KeyXJHJJMDEPGVTQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfenyl compounds
  • Substituents
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • organosulfur compound
  • aromatic heteropolycyclic compound
  • thioether
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound