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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:28 UTC
Update Date2025-03-25 00:50:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179581
Frequency0.5
Structure
Chemical FormulaC10H19NOS2
Molecular Mass233.0908
SMILESCS(=O)CCCN=C=S1CCCCC1
InChI KeyMBZGUSQCWUSPQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthianes
Subclass thianes
Direct Parent thianes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiane