Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 1734XUO14Z
EPA CompTox DTXSID20145265

Structure

InChI Key CODUSAVZTZYYDD-UHFFFAOYSA-M
Smiles [Na+].[O-]C(=O)C(=O)CS
InChI
InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4O3S1
Molecular Weight 119.99
AlogP -0.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 54.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 10255-67-1
NORMAN SUSDAT
FDA SRS 1734XUO14Z
PubChem 23673663
ChemSpider 96.0