S-(4-Nitrophenyl) Ethanethioate

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Formula C8H7NO3S
IUPAC Name s-(4-nitrophenyl) ethanethioate
Molecular Mass 197.211 g·mol−1
Heat of Formation -94.3 ± 16.7 kJ·mol−1
Dipole Moment 6.48 ± 1.08 D
Volume 215.73 Å 3
Surface Area 210.07 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrophenylthiol acetate
  • acetic acid, thio-, s-(p-nitrophenyl) ester
  • benzenethiol, p-nitro-, acetate (6ci)
  • ethanethioic acid s-(4-nitrophenyl) ester
  • ethanethioic acid, s-(4-nitrophenyl) ester (9ci)
  • p-nitrophenylthiol acetate
  • s-(p-nitrophenyl) thioacetate
CAS Number(s)
  • 15119-62-7
InChIKey QCGPFSMQZNLBCA-UHFFFAOYSA-N
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