SODIUM 2-MERCAPTOBENZOTHIOLATE

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form
UNII 2K7B30DX7O
EPA CompTox DTXSID1026035

Structure

InChI Key VLDHWMAJBNWALQ-UHFFFAOYSA-M
Smiles [Na+].[S-]C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4NNaS2
Molecular Weight 188.97
AlogP -0.79
Hydrogen Bond Acceptor 3.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2492-26-4
NORMAN SUSDAT
FDA SRS 2K7B30DX7O
PubChem 3714831
ChemSpider 16307.0
CONTENTS