Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:50:14 UTC
Update Date2025-03-24 14:04:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00747171
Frequency2.0
Structure
Chemical FormulaC6H9NS
Molecular Mass127.0456
SMILESCc1ccc(CN)s1
InChI KeyXCBYYXLOEBELSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,5-disubstituted thiophenes
Direct Parent 2,5-disubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • 2,5-disubstituted thiophene
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound