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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:21 UTC
Update Date2025-03-25 01:01:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252468
Frequency0.5
Structure
Chemical FormulaC9H6F15NS
Molecular Mass444.9981
SMILESNCCSC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyUEYATXUTUWHWBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfenyl compounds
Subclass sulfenyl compounds
Direct Parent sulfenyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • organohalogen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound