Isothiazole

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Properties Simple | Detailed

Formula C3H3NS
IUPAC Name isothiazole
Molecular Mass 85.128 g·mol−1
Heat of Formation 170.9 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 97.64 Å 3
Surface Area 109.35 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-thiazole
  • fs000701
  • zero/004696
CAS Number(s)
  • 288-16-4
InChIKey ZLTPDFXIESTBQG-UHFFFAOYSA-N
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Elements H C S N