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Showing information for DMID02218535

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:26 UTC
Update Date2025-03-25 00:56:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218535
Frequency0.5
Structure
Chemical FormulaC10H11F3S
Molecular Mass220.0534
SMILESCc1ccccc1SCCC(F)(F)F
InChI KeyKQMLBVFZGBMUQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylarylthioethers
  • hydrocarbon derivatives
  • organofluorides
  • sulfenyl compounds
  • thiophenol ethers
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • aromatic homomonocyclic compound
  • thiophenol
  • thioether
  • thiophenol ether
  • alkyl halide
  • hydrocarbon derivative
  • toluene