5-Methyl-1,5-Diazocane-1-Carbodithioic Acid

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Properties Simple | Detailed

Formula C8H16N2S2
IUPAC Name 5-methyl-1,5-diazocane-1-carbodithioic acid
Molecular Mass 204.356 g·mol−1
Heat of Formation 92.9 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 254.0 Å 3
Surface Area 215.45 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-diazocine-1(2h)-carbodithioic acid, hexahydro-5-methyl-
  • 1-methyloctahydro-1,5-diazocin-5-dithiocarboxylic acid
  • fla 69
  • fla-69
CAS Number(s)
  • 77242-25-2
InChIKey GNXFLKKYOQQUEH-UHFFFAOYSA-N
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