Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 21VAE2L4XA
EPA CompTox DTXSID8067159

Structure

InChI Key SDWKXMBJXPQCJU-UHFFFAOYSA-N
Smiles CN1COCN(C)C1=S
InChI
InChI=1S/C5H10N2OS/c1-6-3-8-4-7(2)5(6)9/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2O1S1
Molecular Weight 146.05
AlogP 0.08
Hydrogen Bond Acceptor 2.0
Polar Surface Area 15.71
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 25952-35-6
NORMAN SUSDAT
FDA SRS 21VAE2L4XA
PubChem 93094
ChemSpider 84043.0