4,5-Dichloro-2-Methyl-3(2H)-Isothiazolone

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Properties Simple | Detailed

Formula C4H3Cl2NOS
IUPAC Name 4,5-dichloro-2-methyl-isothiazol-3-one
Molecular Mass 184.044 g·mol−1
Heat of Formation -85.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 173.29 Å 3
Surface Area 173.23 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3(2h)-isothiazolone, 4,5-dichloro-2-methyl-
  • 4,5-dichloro-2-methyl-1,2-thiazol-3-one
  • 4,5-dichloro-2-methyl-3-isothiazolone
  • 4,5-dichloro-2-methyl-4-isothiazolin-3-one
  • 45243-k-dg
CAS Number(s)
  • 26542-23-4
InChIKey CVZDIUZSWUDGOP-UHFFFAOYSA-N
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