S-(4-Nitrobenzyl) Hydrogen Sulfurothioate

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Properties Simple | Detailed

Formula C7H7NO5S2
IUPAC Name 1-nitro-4-(sulfosulfanylmethyl)benzene
Molecular Mass 249.264 g·mol−1
Heat of Formation -410.0 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 249.51 Å 3
Surface Area 239.02 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-4-[(sulfothio)methyl]benzene
  • 4-nitrobenzyl mercaptan s-sulfate
  • nbm-s-sulfate
  • thiosulfuric acid (h2s2o3), s-((4-nitrophenyl)methyl) ester
CAS Number(s)
  • 66138-16-7
InChIKey MILSHAWIUIPRBH-UHFFFAOYSA-N
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