5-Mercapto-1-Methyltetrazole

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Properties Simple | Detailed

Formula C2H4N4S
IUPAC Name 1-methyltetrazole-1,2-diium-5-thione
Molecular Mass 116.145 g·mol−1
Heat of Formation 409.3 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 127.47 Å 3
Surface Area 136.34 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydro-1-methyl-5h-tetrazole-5-thione
  • 1-methyl-1h-tetrazole-5-thiol
  • 1-methyl-2h-1,2,3,4-tetrazole-5-thione
  • 1-methyl-2h-tetrazole-5-thione
  • 1-methyl-5-mercapto-1,2,3,4-tetrazole
  • 1-methyl-5-mercapto-1h-tetrazole
  • 1-methyl-5-mercaptotetrazole
  • 1-methyl-5-tetrazolethione
  • 1-methyl-5-tetrazolinethione
  • 1-methyltetrazole-5-thiol
  • 1-n-methyl-5-thiotetrazole
  • 1h-tetrazole-5-thiol, 1-methyl-
  • 5h-tetrazole-5-thione, 1,2-dihydro-1-methyl-
  • n-methyltetrazolethiol
CAS Number(s)
  • 69713-31-1
  • 13183-79-4
InChIKey XOHZHMUQBFJTNH-UHFFFAOYSA-N
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