2,5-Diisothiocyanatobenzenesulfonate

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Properties Simple | Detailed

Formula C8H3N2O3S3-
IUPAC Name 2,5-diisothiocyanatobenzenesulfonate
Molecular Mass 271.316 g·mol−1
Heat of Formation 960.8 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 269.11 Å 3
Surface Area 261.3 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -3.69 ± eV
Point Group Symmetry C1
Synonyms
  • ,
  • -
  • 2
  • 5
  • a
  • b
  • c
  • d
  • e
  • f
  • h
  • i
  • l
  • n
  • o
  • s
  • t
  • u
  • y
  • z
InChIKey GAZYMQNPYHXJCK-UHFFFAOYSA-M
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