Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7PT8NM2AQ8
EPA CompTox DTXSID6041925

Structure

InChI Key WARIWGPBHKPYON-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)SCC
InChI
InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O1S1
Molecular Weight 161.09
AlogP 2.2
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2941-55-1
NORMAN SUSDAT
FDA SRS 7PT8NM2AQ8
PubChem 18055
ChemSpider 17058.0