1,2-benzisothiazoline-3-one

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 37
Total Number of Articles : 26
PubChem 17520
Molecular Formula

C7H5NOS

SMILES

C1=CC=C2C(=C1)C(=O)NS2

InChI

InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

synonyms
  • 1,2-Benzisothiazol-3(2H)-one
  • 2634-33-5
  • 1,2-Benzisothiazolin-3-one
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Properties
Property Value
MW 151.19 g/mol
HBD 1
HBA 2
Rotatable Bond Count 0
Exact Mass 151.00918496 g/mol
Monoisotopic Mass 151.00918496 g/mol
Heavy Atom Count 10
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 160
xlogp 1.3
Topological Polar Surface Area 54.4