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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:02:31 UTC
Update Date2025-03-24 14:10:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00776457
Frequency1.9
Structure
Chemical FormulaC6H12N2S
Molecular Mass144.0721
SMILESC=CCNC(=NC)SC
InChI KeyKYCGSEJQVUFFHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothioureas
Subclass isothioureas
Direct Parent isothioureas
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • imine
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • isothiourea