POTASSIUM 4-OXO-2-THIOXOTHIAZOLIDIN-3-ETHANESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID3069485

Structure

InChI Key VPACZHHWMBGFHC-UHFFFAOYSA-M
Smiles [K+].O=C1N(C(=S)SC1)CCS(=O)(=O)[O-]
InChI
InChI=1/C5H7NO4S3.K/c7-4-3-12-5(11)6(4)1-2-13(8,9)10;/h1-3H2,(H,8,9,10);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7NO4S3
Molecular Weight 278.91
AlogP -3.6
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 77.51
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 61681-02-5
NORMAN SUSDAT
PubChem 109111
CONTENTS