1-(4-Chlorophenyl)-1,2-Dihydro-5H-Tetrazole-5-Thione

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Properties Simple | Detailed

Formula C7H5ClN4S
IUPAC Name 1-(4-chlorophenyl)tetrazole-1,2-diium-5-thione
Molecular Mass 212.659 g·mol−1
Heat of Formation 508.5 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 223.88 Å 3
Surface Area 212.58 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-chloro-phenyl)-1h-tetrazole-5-thiol
  • 1-(4-chlorophenyl)-1h-tetrazole-5-thiol
  • 1-(4-chlorophenyl)-2h-1,2,3,4-tetrazole-5-thione
  • 1-(4-chlorophenyl)-2h-tetrazole-5-thione
  • 1-(4-chlorophenyl)tetrazole-2-thione
  • 1-(p-chlorophenyl)-1h-tetrazole-5-thiol
  • 1-(p-chlorophenyl)-tetrazoline-5-thione
  • 1-p-chlorophenyl-2-tetrazolinethione
  • 1-p-chlorophenyltetrazole-2-thione
  • 2-tetrazoline-5-thione, 1-(p-chlorophenyl)-
  • 5h-tetrazole-5-thione, 1-(4-chlorophenyl)-1,2-dihydro-
  • ag-693/00947017
  • bas 04307880
CAS Number(s)
  • 27143-76-6
  • 5097-78-9
InChIKey QPTIWFZSPZVBEW-UHFFFAOYSA-N
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Elements H S N C Cl