Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3068679

Structure

InChI Key HMIFTYSOZMSIFK-UHFFFAOYSA-N
Smiles COCNC(=S)NCOC
InChI
InChI=1S/C5H12N2O2S/c1-8-3-6-5(10)7-4-9-2/h3-4H2,1-2H3,(H2,6,7,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12N2O2S1
Molecular Weight 164.06
AlogP 0.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 42.85
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 51872-26-5
NORMAN SUSDAT
PubChem 3034722
ChemSpider 2299136.0