Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30939955

Structure

InChI Key RBGDFYZLQKZUCO-CSMHCCOUSA-N
Smiles S=C=NC1CC2CCC1C2
InChI
InChI=1/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NS
Molecular Weight 153.06
AlogP 2.28
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.36
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 18530-33-1
NORMAN SUSDAT
PubChem 11869712