Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60884585

Structure

InChI Key SBKRXUMXMKBCLD-UHFFFAOYSA-N
Smiles O=C1NC(=O)C(N1)CCSC
InChI
InChI=1/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N2O2S
Molecular Weight 174.05
AlogP 0.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 65.18
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13253-44-6
NORMAN SUSDAT
PubChem 567982