Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:51 UTC
Update Date2025-03-21 18:36:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112407
Frequency23.6
Structure
Chemical FormulaC10H15NS
Molecular Mass181.0925
SMILESNCCSCCc1ccccc1
InChI KeyXTJWHAGJSCTAFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • monocyclic benzene moiety
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • aromatic homomonocyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound