Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:14 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249908
Frequency0.5
Structure
Chemical FormulaC12H14N2S2
Molecular Mass250.0598
SMILESCSC(=S)NCCc1c[nH]c2ccccc12
InChI KeyYGCLBCUJWRJRPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dithiocarbamic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfenyl compounds
  • Substituents
  • sulfenyl compound
  • azacycle
  • indole
  • heteroaromatic compound
  • organosulfur compound
  • dithiocarbamic acid ester
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound