2-Phenylbenzothiazole

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Properties Simple | Detailed

Formula C13H9NS
IUPAC Name 2-phenyl-1,3-benzothiazole
Molecular Mass 211.282 g·mol−1
Heat of Formation 310.3 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 245.13 Å 3
Surface Area 235.2 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • benzothiazole, 2-phenyl-
  • fr-0848
  • iflab1_004405
CAS Number(s)
  • 883-93-2
InChIKey XBHOUXSGHYZCNH-UHFFFAOYSA-N
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Elements H S C N