Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:30:40 UTC
Update Date2025-03-21 20:57:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00415727
Frequency4.3
Structure
Chemical FormulaC7H9NS
Molecular Mass139.0456
SMILESCSc1ccc(C)nc1
InChI KeyBKPOKYNAGIKTMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound