4-Nitrothiophenol

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Properties Simple | Detailed

Formula C6H5NO2S
IUPAC Name 4-nitrobenzenethiol
Molecular Mass 155.174 g·mol−1
Heat of Formation 79.6 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 170.23 Å 3
Surface Area 171.16 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-nitrothiophenolate
  • benzenethiol, 4-nitro-
  • benzenethiol, p-nitro-
  • p-nitrobenzenethiol
  • p-nitrophenyl mercaptan
  • p-nitrothiophenol
CAS Number(s)
  • 1849-36-1
InChIKey AXBVSRMHOPMXBA-UHFFFAOYSA-N
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