SODIUM 2-HYDROXY-3-MERCAPTOPROPANESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70942069

Structure

InChI Key WBZSEACLCTWMGY-UHFFFAOYSA-M
Smiles [Na+].O=S(=O)([O-])CC(O)CS
InChI
InChI=1/C3H8O4S2.Na/c4-3(1-8)2-9(5,6)7;/h3-4,8H,1-2H2,(H,5,6,7);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O4S2
Molecular Weight 193.97
AlogP -4.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 77.43
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 20055-98-5
NORMAN SUSDAT
PubChem 3015075
CONTENTS