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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:19:51 UTC
Update Date2025-03-21 22:15:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00532222
Frequency3.2
Structure
Chemical FormulaC6H11NOS
Molecular Mass145.0561
SMILESCC(C)OCCN=C=S
InChI KeyTZPRGJRMXHFDNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • ether
  • organic 1,3-dipolar compound
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound