Isothiazolo(5,4-B)Pyridine

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Properties Simple | Detailed

Formula C6H4N2S
IUPAC Name isothiazolo[5,4-b]pyridine
Molecular Mass 136.174 g·mol−1
Heat of Formation 263.4 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 148.82 Å 3
Surface Area 152.71 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry Cs
Synonyms
  • [1,2]thiazolo[5,4-b]pyridine
InChIKey VTIVYUBSVCXRPI-UHFFFAOYSA-N
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Elements H S C N