Methyl [(1-Methyl-1H-Tetrazol-5-Yl)Sulfonyl]Acetate

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Properties Simple | Detailed

Formula C5H8N4O4S
IUPAC Name methyl 2-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfonyl]acetate
Molecular Mass 220.206 g·mol−1
Heat of Formation -355.2 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 227.16 Å 3
Surface Area 220.28 Å 2
HOMO Energy -11.52 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(1-methyltetrazol-5-yl)sulfonylacetic acid methyl ester
  • 2-[(1-methyl-5-tetrazolyl)sulfonyl]acetic acid methyl ester
  • acetic acid, (1-methyl-5-tetrazolyl)sulfonyl-, methyl ester
  • kb 11
  • kb-11
  • methyl (1-methyl-5-tetrazolyl)sulfonylacetate
  • methyl 2-(1-methyltetrazol-5-yl)sulfonylacetate
  • methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfonyl]ethanoate
CAS Number(s)
  • 39354-97-7
InChIKey NNIHBUUZBHXOSY-UHFFFAOYSA-N
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