3-[2-(Mesitylsulfanyl)Ethyl]-4-Methyl-1,2,3-Oxadiazol-3-Ium-5-Olate

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Formula C14H18N2O2S
IUPAC Name 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate
Molecular Mass 278.370 g·mol−1
Heat of Formation -72.1 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 338.17 Å 3
Surface Area 266.47 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-(2,4,6-trimethylphenyl)thioethyl)-4-methylsydnone
  • 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]-1,2,3-oxadiazol-3-ium-5-olate
  • 4-methyl-3-[2-[(2,4,6-trimethylphenyl)thio]ethyl]-5-oxadiazol-3-iumolate
  • 4-methyl-3-[2-[(2,4,6-trimethylphenyl)thio]ethyl]oxadiazol-3-ium-5-olate
  • sydnone, 4-methyl-3-(2-((2,4,6-trimethylphenyl)thio)ethyl)-
CAS Number(s)
  • 53492-67-4
InChIKey SASVRDKVMXNKBH-UHFFFAOYSA-N
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