1-(4-Bromophenyl)-1H-Tetrazole-5-Thiol

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Properties Simple | Detailed

Formula C7H5BrN4S
IUPAC Name 1-(4-bromophenyl)tetrazole-1,2-diium-5-thione
Molecular Mass 257.110 g·mol−1
Heat of Formation 563.1 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 230.52 Å 3
Surface Area 218.41 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-bromophenyl)-2h-1,2,3,4-tetrazole-5-thione
  • 1-(4-bromophenyl)-2h-tetrazole-5-thione
  • 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole
  • 1-bpmt
  • 5h-tetrazole-5-thione, 1-(4-bromophenyl)-1,2-dihydro-
  • br fmt
CAS Number(s)
  • 22347-29-1
  • 27143-71-1
InChIKey YJRIGYBILBNKPH-UHFFFAOYSA-N
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Elements H S C Br N