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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:44:42 UTC
Update Date2025-03-24 22:12:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02025826
Frequency0.6
Structure
Chemical FormulaC6H10N2S
Molecular Mass142.0565
SMILESCN1C2=NCCC1CS2
InChI KeyBOVUGGUPYOQYDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiazepines
Subclass meta thiazepines
Direct Parent meta thiazepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • hydropyrimidines
  • isothioureas
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolidines
    • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • meta-thiazepine
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazolidine
  • isothiourea