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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:05:25 UTC
Update Date2025-03-24 22:29:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01216165
Frequency1.1
Structure
Chemical FormulaC4H6ClNS
Molecular Mass134.9909
SMILESS=C=NCCCCl
InChI KeyZGFOBQSQLJDLKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • hydrocarbon derivatives
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • alkyl chloride
  • organochloride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound