Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:28 UTC
Update Date2025-03-21 18:32:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089501
Frequency31.5
Structure
Chemical FormulaC9H10S
Molecular Mass150.0503
SMILESC=CCSc1ccccc1
InChI KeyQGNRLAFFKKBSIM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • allyl sulfur compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • sulfenyl compounds
  • thiophenol ethers
  • Substituents
  • monocyclic benzene moiety
  • sulfenyl compound
  • allyl sulfur compound
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • aromatic homomonocyclic compound
  • thiophenol
  • thioether
  • thiophenol ether
  • hydrocarbon derivative