Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00968419

Structure

InChI Key HEFKKYCXFOTNTB-UHFFFAOYSA-N
Smiles S1C(C)CNCC1C
InChI
InChI=1/C6H13NS/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NS
Molecular Weight 131.08
AlogP 1.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 53651-62-0
NORMAN SUSDAT
PubChem 103815