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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:04 UTC
Update Date2025-03-25 00:47:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160346
Frequency0.5
Structure
Chemical FormulaC9H10ClNO2S2
Molecular Mass262.9841
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CCCS2
InChI KeyXVCLJMVLPFYHMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiochromanes
Subclass thiochromanes
Direct Parent thiochromanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzothiopyrans
  • alkylarylthioethers
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenoids
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organochlorides
  • organosulfonamides
  • thiopyrans
    • Substituents
  • organosulfonic acid or derivatives
  • organochloride
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • 1-benzothiopyran
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • thiochromane
  • aryl chloride
  • aminosulfonyl compound
  • benzothiopyran
  • thiopyran
  • aryl halide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound