5-Methylthiotetrazole

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Properties Simple | Detailed

Formula C2H4N4S
IUPAC Name 5-methylsulfanyl-3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-diene
Molecular Mass 116.145 g·mol−1
Heat of Formation 317.0 ± 16.7 kJ·mol−1
Dipole Moment 0.41 ± 1.08 D
Volume 125.83 Å 3
Surface Area 135.91 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-tetrazole, 5-(methylthio)-
  • 5-(methylthio)-1h-tetrazole
  • 5-(methylthio)-2h-tetrazole
  • 5-methylsulfanyl-2h-1,2,3,4-tetrazole
  • 5-methylsulfanyl-2h-tetrazole
  • 5-thiomethyltetrazole
CAS Number(s)
  • 29515-99-9
InChIKey ZBXNFTFKKOSPLD-UHFFFAOYSA-N
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Elements H S C N