4-Bromothiophenol

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Properties Simple | Detailed

Formula C6H5BrS
IUPAC Name 4-bromobenzenethiol
Molecular Mass 189.073 g·mol−1
Heat of Formation 112.8 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 167.87 Å 3
Surface Area 168.55 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry Cs
Synonyms
  • benzenethiol, 4-bromo-
  • benzenethiol, p-bromo-
  • benzenethiol, p-bromo- (8ci)
  • p-bromobenzenethiol
  • p-bromophenyl thiol
  • p-bromothiophenol
CAS Number(s)
  • 106-53-6
InChIKey FTBCOQFMQSTCQQ-UHFFFAOYSA-N
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Elements H S C Br