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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:57 UTC
Update Date2025-03-25 00:46:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153377
Frequency0.5
Structure
Chemical FormulaC10H15NOS
Molecular Mass197.0874
SMILESCOc1ccc(SCCCN)cc1
InChI KeyKQLHNAGMMJZYPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkylarylthioethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • sulfenyl compounds
  • thiophenol ethers
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • sulfenyl compound
  • alkyl aryl ether
  • alkylarylthioether
  • organosulfur compound
  • methoxybenzene
  • aryl thioether
  • aromatic homomonocyclic compound
  • thiophenol
  • organic oxygen compound
  • thioether
  • anisole
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound