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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:39 UTC
Update Date2025-03-25 00:59:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239270
Frequency0.5
Structure
Chemical FormulaC7H6F3N5S
Molecular Mass249.0296
SMILESFC(F)(F)CCSc1nnc2nc[nH]c2n1
InChI KeyHXHXQKDOVKGDQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • sulfenyl compound
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • alkylarylthioether
  • organohalogen compound
  • aryl thioether
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • triazine
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2,4-triazine
  • organoheterocyclic compound
  • azole