SODIUM [[(2-AMINO-2-OXOETHYL)THIO]THIOXOMETHOXY]ACETATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID00886523

Structure

InChI Key LMPPEGFHFNPIRK-UHFFFAOYSA-M
Smiles [Na+].O=C([O-])COC(=S)SCC(=O)N
InChI
InChI=1/C5H7NO4S2.Na/c6-3(7)2-12-5(11)10-1-4(8)9;/h1-2H2,(H2,6,7)(H,8,9);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7NO4S2
Molecular Weight 230.96
AlogP -3.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 93.44
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 63059-38-1
NORMAN SUSDAT
PubChem 112995
CONTENTS