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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:35:51 UTC
Update Date2025-03-21 18:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00147642
Frequency16.6
Structure
Chemical FormulaC4H7N3S
Molecular Mass129.0361
SMILESCN(C)C(=N)N=C=S
InChI KeyHLZOMZKSAZYTDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • imine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound