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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:35 UTC
Update Date2025-03-25 00:47:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161499
Frequency0.5
Structure
Chemical FormulaC5H8N2O2S2
Molecular Mass192.0027
SMILESNCc1ccc(S(N)(=O)=O)s1
InChI KeyBAFJJOAPLFRFQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,5-disubstituted thiophenes
Direct Parent 2,5-disubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • 2,5-disubstituted thiophene
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • aminosulfonyl compound
  • heteroaromatic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound