Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KL6U8NL15R
EPA CompTox DTXSID10212071

Structure

InChI Key SGHJUJBYMSVAJY-UHFFFAOYSA-N
Smiles CCCCCN=C=S
InChI
InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1S1
Molecular Weight 129.06
AlogP 2.28
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 12.36
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 629-12-9
NORMAN SUSDAT
FDA SRS KL6U8NL15R
PubChem 69415
ChemSpider 62623.0