Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key ZRBJZIVCYOGZCO-UHFFFAOYSA-N
Smiles [Na+].[O-][S](=O)(=O)s1cccc1
InChI
InChI=1S/C4H5O3S2/c5-9(6,7)8-3-1-2-4-8/h1-4H,(H,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5O3S2
Molecular Weight 164.97
AlogP 1.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 54.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1300-29-4
NORMAN SUSDAT