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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:53:15 UTC
Update Date2025-03-24 20:31:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01473427
Frequency0.9
Structure
Chemical FormulaC5H8N2S
Molecular Mass128.0408
SMILESCN1CC(N=C=S)C1
InChI KeyVAKOTJIJTIOMLB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazetidines
Subclass azetidines
Direct Parent azetidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • isothiocyanates
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • isothiocyanate
  • azacycle
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • azetidine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine