4-Benzofurazansulfonamide, 7-Isothiocyanato-N,N-Dimethyl-

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Properties Simple | Detailed

Formula C9H8N4O3S2
IUPAC Name 7-isothiocyanato-n,n-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Molecular Mass 284.315 g·mol−1
Heat of Formation 173.6 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 296.1 Å 3
Surface Area 265.14 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 4-isothiocyanato-n,n-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide
  • 7-isothiocyanato-n,n-dimethyl-benzofurazan-4-sulfonamide
  • 7-n,n-dimethylaminosulfonyl-4-(2,1,3-benzoxadiazolyl)isothiocyanate
  • dbd-ncs
CAS Number(s)
  • 147611-81-2
InChIKey SUOZAUUDBKHLHQ-UHFFFAOYSA-N
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