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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:40 UTC
Update Date2025-03-25 00:59:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234842
Frequency0.5
Structure
Chemical FormulaC8H10F3N3S
Molecular Mass237.0548
SMILESCNc1ccnc(SCCC(F)(F)F)n1
InChI KeyHFRJWIZTEDGHKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organofluorides
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
  • sulfenyl compounds
    • Substituents
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • secondary amine
  • alkylarylthioether
  • organohalogen compound
  • aryl thioether
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organoheterocyclic compound
  • amine