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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:07 UTC
Update Date2025-03-25 00:45:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151415
Frequency0.5
Structure
Chemical FormulaC10H8F3NS
Molecular Mass231.033
SMILESN#Cc1ccc(SCCC(F)(F)F)cc1
InChI KeyFYYHATSGPIMAFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylarylthioethers
  • benzonitriles
  • hydrocarbon derivatives
  • nitriles
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • thiophenol ethers
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • benzonitrile
  • aromatic homomonocyclic compound
  • thiophenol
  • thioether
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • carbonitrile