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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:28:01 UTC
Update Date2025-03-25 01:51:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02544179
Frequency0.5
Structure
Chemical FormulaC4H5NS2
Molecular Mass130.9863
SMILESS=C=NC1CSC1
InChI KeyHJRBPDJVUGJEAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthietanes
Subclass thietanes
Direct Parent thietanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • dialkylthioether
  • thietane
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound