1-Azepanecarbodithioic Acid

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Properties Simple | Detailed

Formula C7H13NS2
IUPAC Name azepane-1-carbodithioic acid
Molecular Mass 175.315 g·mol−1
Heat of Formation 32.5 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 213.89 Å 3
Surface Area 197.48 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-azepine-1-carbodithioic acid, hexahydro-
  • hexamethylenedithiocarbamate
  • hexamethylenedithiocarbamic acid
CAS Number(s)
  • 874-56-6
InChIKey IULVMSRZVAOLEB-UHFFFAOYSA-N
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