Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9029350

Structure

InChI Key KIDWGGCIROEJJW-GQCTYLIASA-N
Smiles CSC(=NO)C(=O)N(C)C
InChI
InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2O2S1
Molecular Weight 162.05
AlogP 0.23
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.9
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 30558-43-1
NORMAN SUSDAT
PubChem 6399420
ChemSpider 4911583.0