1,2-Benzothiazole

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Properties Simple | Detailed

Formula C7H5NS
IUPAC Name 1,2-benzothiazole
Molecular Mass 135.186 g·mol−1
Heat of Formation 219.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 152.97 Å 3
Surface Area 156.05 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-benzisothiazole
  • benzo[d]isothiazole
CAS Number(s)
  • 272-16-2
InChIKey CSNIZNHTOVFARY-UHFFFAOYSA-N
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Elements H S C N