Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:05:16 UTC
Update Date2025-03-21 18:28:55 UTC
HMDB IDHMDB0040590
Metabolite Identification
DeepMet IDDMID00074784
NameBenzyl methyl disulfide
Frequency39.6
Structure
Chemical FormulaC8H10S2
Molecular Mass170.0224
SMILESCSSCc1ccccc1
InChI KeyNWYGPVZOBBHKLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkyldisulfides
  • hydrocarbon derivatives
  • sulfenyl compounds
  • Substituents
  • aromatic homomonocyclic compound
  • dialkyldisulfide
  • monocyclic benzene moiety
  • sulfenyl compound
  • organic disulfide
  • hydrocarbon derivative
  • organosulfur compound