Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40948417

Structure

InChI Key GDNCNUUIRLOZBT-UHFFFAOYSA-N
Smiles O=C1OC(CSC)CN1N
InChI
InChI=1/C5H10N2O2S/c1-10-3-4-2-7(6)5(8)9-4/h4H,2-3,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2O2S
Molecular Weight 162.05
AlogP 0.04
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 55.56
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 25517-72-0
NORMAN SUSDAT
PubChem 117256