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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:15:34 UTC
Update Date2025-03-21 19:08:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00240304
Frequency8.8
Structure
Chemical FormulaC3H3NS2
Molecular Mass116.9707
SMILESS=C=NCC=S
InChI KeySPKNSLFCAMKRNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thioaldehydes
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • carbonyl group
  • thiocarbonyl group
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • thioaldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound