4-Isothiocyanatobenzenesulfonamide

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Properties Simple | Detailed

Formula C7H6N2O2S2
IUPAC Name 4-isothiocyanatobenzenesulfonamide
Molecular Mass 214.265 g·mol−1
Heat of Formation -71.7 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 226.78 Å 3
Surface Area 224.0 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-icsa
  • benzenesulfonamide, 4-isothiocyanato-
CAS Number(s)
  • 51908-29-3
InChIKey IMDUFDNFSJWYQT-UHFFFAOYSA-N
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