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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:35 UTC
Update Date2025-03-21 18:39:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123664
Frequency20.8
Structure
Chemical FormulaC5H7NO2S2
Molecular Mass176.9918
SMILESO=S1(=O)CCC(N=C=S)C1
InChI KeyPSOFIRZPDGOPJE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfones
    • Substituents
  • thiolane
  • isothiocyanate
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfone