Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:01:42 UTC
Update Date2025-03-24 20:08:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01351244
Frequency1.0
Structure
Chemical FormulaC7H11NS
Molecular Mass141.0612
SMILESCSc1[nH]c(C)cc1C
InChI KeyXSPJWWJMWFITOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfenyl compounds
  • Substituents
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alkylarylthioether
  • aryl thioether
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound