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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:22:48 UTC
Update Date2025-03-25 00:16:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01259151
Frequency1.1
Structure
Chemical FormulaC4H4N4S
Molecular Mass140.0157
SMILESNc1[nH]cnc1N=C=S
InChI KeyXTMJVOCIDLKMOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isothiocyanates
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine