4-Nitrophenyl Methyl Sulfide

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Properties Simple | Detailed

Formula C7H7NO2S
IUPAC Name 1-methylsulfanyl-4-nitro-benzene
Molecular Mass 169.201 g·mol−1
Heat of Formation 68.4 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 189.06 Å 3
Surface Area 188.31 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(methylthio)-4-nitro-benzene
  • 1-(methylthio)-4-nitrobenzene
  • 4-nitrothioanisole
  • benzene, 1-(methylthio)-4-nitro-
  • methyl 4-nitrophenyl sulphide
  • methyl-4-nitrophenyl sulfide
CAS Number(s)
  • 701-57-5
InChIKey NEZGPRYOJVPJKL-UHFFFAOYSA-N
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