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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:05 UTC
Update Date2025-03-25 00:48:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169495
Frequency0.5
Structure
Chemical FormulaC12H26N2S
Molecular Mass230.1817
SMILESCCCN=C(S)N(CC(C)C)CC(C)C
InChI KeyIQOFNTLZOAZQQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioureas
Subclass thioureas
Direct Parent thioureas
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • thiourea
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound