2H-[1,2]Thiazolo[5,4-B]Indole

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Properties Simple | Detailed

Formula C9H6N2S
IUPAC Name 1h-isothiazolo[5,4-b]indol-1-ylium-4-ide
Molecular Mass 174.222 g·mol−1
Heat of Formation 387.7 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 191.65 Å 3
Surface Area 189.08 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-isothiazolo[5,4-b]indole
  • 8h-isothiazolo(5,4-b)indole
  • brassilexin
  • brassilexine
CAS Number(s)
  • 119752-76-0
InChIKey YPQKRKAUPLJHDT-UHFFFAOYSA-N
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Elements H S C N