(E)-Nithiazine

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Properties Simple | Detailed

Formula C5H8N2O2S
IUPAC Name (2e)-2-(nitromethylene)-1,3-thiazinane
Molecular Mass 160.194 g·mol−1
Heat of Formation -12.7 ± 16.7 kJ·mol−1
Dipole Moment 8.93 ± 1.08 D
Volume 173.72 Å 3
Surface Area 174.93 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-(nitromethylene)-1,3-thiazinane
  • (2e)-2-(nitromethylidene)-1,3-thiazinane
  • 2h-1,3-thiazine, tetrahydro-2-(nitromethylene)-
  • sd 35651
  • sd-35651
  • tetrahydro-2-(nitromethylene)-2h-1,3-thiazine
CAS Number(s)
  • 97190-65-3
  • 58842-20-9
InChIKey LZTIMERBDGGAJD-SNAWJCMRSA-N
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