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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:50:10 UTC
Update Date2025-03-21 18:51:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00181715
Frequency12.7
Structure
Chemical FormulaC4H5NS2
Molecular Mass130.9863
SMILESS=C=NCCC=S
InChI KeyNBSWEKIZWIHXDV-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