Methylchloroisothiazolinone

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Properties Simple | Detailed

Formula C4H4ClNOS
IUPAC Name 5-chloro-2-methyl-isothiazol-3-one
Molecular Mass 149.599 g·mol−1
Heat of Formation -65.9 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 151.34 Å 3
Surface Area 157.38 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry Cs
Synonyms
  • 3(2h)-isothiazolone, 5-chloro-2-methyl-
  • 4-isothiazolin-3-one, 5-chloro-2-methyl-
  • 5-chloro-2-methyl-1,2-thiazol-3-one
  • 5-chloro-2-methyl-2h-isothiazol-3-one
  • 5-chloro-2-methyl-3(2h)-isothiazolone
  • 5-chloro-2-methyl-3-isothiazolone
  • 5-chloro-2-methyl-4-isothiazolin-3-one
  • 5-chloro-2-methyl-4-isothiazolin-3-one solution
  • kathon cg 5243
CAS Number(s)
  • 137662-59-0
InChIKey DHNRXBZYEKSXIM-UHFFFAOYSA-N
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