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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:49:02 UTC
Update Date2025-03-21 22:57:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00602003
Frequency2.7
Structure
Chemical FormulaC5H12N2S
Molecular Mass132.0721
SMILESCCN=C(NC)SC
InChI KeyNAFUMWVGLILGQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothioureas
Subclass isothioureas
Direct Parent isothioureas
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic nitrogen compound
  • isothiourea
  • propargyl-type 1,3-dipolar organic compound