Dcoit

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Properties Simple | Detailed

Formula C11H17Cl2NOS
IUPAC Name 4,5-dichloro-2-octyl-isothiazol-3-one
Molecular Mass 282.230 g·mol−1
Heat of Formation -245.3 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 326.42 Å 3
Surface Area 310.39 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 3(2h)-isothiazolone, 4,5-dichloro-2-octyl-
  • 4,5-dichloro-2-n-octyl-3(2h)-isothiazolone
  • 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one
  • 4,5-dichloro-2-octyl-1,2-thiazol-3-one
  • 4,5-dichloro-2-octyl-2h-isothiazol-3-one
  • 4,5-dichloro-2-octyl-3-isothiazolone
  • anti-foulant c-9211m
  • caswell no. 314b
  • epa pesticide chemical code 128101
  • kathon 930
  • ls-86323
  • sea nine - 211
CAS Number(s)
  • 64359-81-5
InChIKey PORQOHRXAJJKGK-UHFFFAOYSA-N
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