2-Methyl-4-isothiazolin-3-one

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 4
PubChem 39800
Molecular Formula

C4H5NOS

SMILES

CN1C(=O)C=CS1

InChI

InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3

synonyms
  • 2682-20-4
  • 2-Methyl-4-isothiazolin-3-one
  • Methylisothiazolinone
Click to show/hide the synonyms
Properties
Property Value
MW 115.16 g/mol
HBD 0
HBA 2
Rotatable Bond Count 0
Exact Mass 115.00918496 g/mol
Monoisotopic Mass 115.00918496 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 121
xlogp 0
Topological Polar Surface Area 45.6