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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:54 UTC
Update Date2025-03-25 00:52:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194121
Frequency0.5
Structure
Chemical FormulaC6H14N2S2
Molecular Mass178.0598
SMILESCN=C(NC)SCCSC
InChI KeyCYNUFKHQSBJWHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothioureas
Subclass isothioureas
Direct Parent isothioureas
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • dialkylthioethers
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • imine
  • dialkylthioether
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • isothiourea