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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:04 UTC
Update Date2025-03-25 00:49:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176362
Frequency0.5
Structure
Chemical FormulaC10H14N2S3
Molecular Mass258.0319
SMILESCc1c(CN)csc1CSCCN=C=S
InChI KeyHGHIFXUNZVEYCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • isothiocyanates
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • thiophenes
    • Substituents
  • isothiocyanate
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • thiophene
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound