1,2-BENZISOTHIAZOLIN-3-ONE, LITHIUM SALT

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID001016749

Structure

InChI Key CTUHKWPZGVCJLL-UHFFFAOYSA-M
Smiles [Li+].O=C1[N-]SC2=C1C=CC=C2
InChI
InChI=1S/C7H5NOS.Li/c9-7-5-3-1-2-4-6(5)10-8-7;/h1-4H,(H,8,9);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4LiNOS
Molecular Weight 157.02
AlogP -1.63
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.95
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 111337-53-2
NORMAN SUSDAT
PubChem 42598112
CONTENTS