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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:04 UTC
Update Date2025-03-25 00:45:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02148944
Frequency0.5
Structure
Chemical FormulaC9H6Cl4N2S
Molecular Mass313.9006
SMILESN#Cc1c(Cl)c(Cl)c(Cl)c(SCCN)c1Cl
InChI KeySAGRQYVXWVNPHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • aryl chlorides
  • benzonitriles
  • chlorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • thiophenol ethers
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • organochloride
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • thiophenol
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • aryl chloride
  • chlorobenzene
  • sulfenyl compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • thioether
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene