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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:26 UTC
Update Date2025-03-21 18:33:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094268
Frequency29.5
Structure
Chemical FormulaC9H9NS
Molecular Mass163.0456
SMILESCc1cccc(C)c1N=C=S
InChI KeyUULUECCNPPJFBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass xylenes
Direct Parent m-xylenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • m-xylene
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound