Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AP7T5FNH9W
EPA CompTox DTXSID60222342

Structure

InChI Key APLHDUWNMGJBFD-UHFFFAOYSA-N
Smiles S=C1CCCCCN1
InChI
InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1S1
Molecular Weight 129.06
AlogP 1.89
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.36
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 7203-96-5
NORMAN SUSDAT
FDA SRS AP7T5FNH9W
PubChem 3003736
ChemSpider 2274139.0