2(3H)-BENZOTHIAZOLETHIONE, ZINC SALT (2:1)

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID6020808

Structure

InChI Key PGNWIWKMXVDXHP-UHFFFAOYSA-L
Smiles [Zn++].[S-]C1=NC2=C(S1)C=CC=C2.[S-]C1=NC2=C(S1)C=CC=C2
InChI
InChI=1S/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8N2S4Zn
Molecular Weight 395.89
AlogP 4.4
Hydrogen Bond Acceptor 6.0
Polar Surface Area 25.78
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 155-04-4
NORMAN SUSDAT
CONTENTS