Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:14 UTC
Update Date2025-03-25 00:48:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169812
Frequency0.5
Structure
Chemical FormulaC10H13NS2
Molecular Mass211.0489
SMILESCCNC(=S)SCc1ccccc1
InChI KeyISIHGMPTSUWCKF-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
  • dithiocarbamic acid esters
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aromatic homomonocyclic compound
  • dithiocarbamic acid ester
  • monocyclic benzene moiety
  • sulfenyl compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organosulfur compound