Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:38:15 UTC
Update Date2025-03-21 17:57:59 UTC
HMDB IDHMDB0031314
Metabolite Identification
DeepMet IDDMID00011410
NameBenzyl methyl sulfide
Frequency405.9
Structure
Chemical FormulaC8H10S
Molecular Mass138.0503
SMILESCSCc1ccccc1
InChI KeyOFQPKKGMNWASPN-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
  • dialkylthioethers
  • hydrocarbon derivatives
  • sulfenyl compounds
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • sulfenyl compound
  • thioether
  • dialkylthioether
  • hydrocarbon derivative
  • organosulfur compound