1-Phenyl-5-Mercaptotetrazole

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Properties Simple | Detailed

Formula C7H6N4S
IUPAC Name 1-phenyl-2h-tetrazole-5-thione
Molecular Mass 178.214 g·mol−1
Heat of Formation 544.4 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 198.74 Å 3
Surface Area 193.46 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenyl-1h-tetrazole-5-thiol
  • 1-phenyl-2h-1,2,3,4-tetrazole-5-thione
  • 1-phenyl-2h-tetrazole-5-thione
  • 1-phenyl-5-mercapto-1,2,3,4-tetrazole
  • 1-phenyl-5-mercapto-tetrazol
  • 1-phenyl-5-tetrazolethione
  • 1-phenyltetrazole-5-thiol
  • 1-phenyltetrazole-thiol
  • 1-phenyltetrazoline-5-thione
  • 1h-tetrazole-5-thiol, 1-phenyl-
  • 1ph5shtetrazol
  • 2-tetrazoline-5-thione, 1-phenyl-
  • 5-mercapto-1-phenyl-1h-tetrazole
  • 5-mercapto-1-phenyltetrazol
  • 5-mercapto-1-phenyltetrazole
  • 5h-tetrazole-5-thione, 1,2-dihydro-1-phenyl-
  • fr-0256
  • mercaptophenyltetrazole
  • phenylmercaptotetrazole
CAS Number(s)
  • 86-93-1
  • 1437-66-7
  • 53741-94-9
  • 69829-89-6
  • 122546-70-7
InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N
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