3,4-Dihydro-2H-1,4-Benzothiazine

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Properties Simple | Detailed

Formula C8H9NS
IUPAC Name 3,4-dihydro-2h-1,4-benzothiazine
Molecular Mass 151.229 g·mol−1
Heat of Formation 111.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 178.36 Å 3
Surface Area 175.19 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dihydro-1,4-benzothiazine
  • 2h-1,4-benzothiazine, 3,4-dihydro-
  • 3,4-dihydro-2h-benzo[1,4]thiazine
  • bas 07625764
CAS Number(s)
  • 3080-99-7
InChIKey YBBLSBDJIKMXNQ-UHFFFAOYSA-N
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