1,2-BENZISOTHIAZOL-3(2H)-ONE, SODIUM SALT

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

Structure

InChI Key CFMIJCAMTQLSTM-UHFFFAOYSA-N
Smiles [Na+].O=C1NSc2ccccc12
InChI
InChI=1/C7H5NOS.Na/c9-7-5-3-1-2-4-6(5)10-8-7;/h1-4H,(H,8,9);/q;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5NNaOS
Molecular Weight 174.0
AlogP -0.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 58249-25-5
NORMAN SUSDAT
CONTENTS