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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:11:35 UTC
Update Date2025-03-21 19:06:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00230895
Frequency9.3
Structure
Chemical FormulaC3H5NOS2
Molecular Mass134.9813
SMILESCS(=O)CN=C=S
InChI KeyNSWQRFMPEPUVTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound