THIACETARSAMIDE SODIUM

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII KW75J7708X

Structure

InChI Key YBQWEUNEYYXYOI-UHFFFAOYSA-N
Smiles [Na+].[Na+].NC(=O)c1ccc(cc1)[As](SCC([O-])=O)SCC([O-])=O;NC(=O)C1=CC=C(C=C1)[As](SCC(O)=O)SCC(O)=O
InChI
InChI=1S/C11H12AsNO5S2/c13-11(18)7-1-3-8(4-2-7)12(19-5-9(14)15)20-6-10(16)17/h1-4H,5-6H2,(H2,13,18)(H,14,15)(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12As1N1O5S2
Molecular Weight 376.94
AlogP 0.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 117.69
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 14433-82-0
NORMAN SUSDAT
FDA SRS KW75J7708X
CONTENTS