Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8AK5EKZ9XA
EPA CompTox DTXSID3065663

Structure

InChI Key JBODMFWMIWWZSF-UHFFFAOYSA-N
Smiles SCCN1CCCC1=O
InChI
InChI=1S/C6H11NOS/c8-6-2-1-3-7(6)4-5-9/h9H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O1S1
Molecular Weight 145.06
AlogP 0.54
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 13839-15-1
NORMAN SUSDAT
FDA SRS 8AK5EKZ9XA
PubChem 83768
ChemSpider 75489.0