3-{(E)-2-[4-(Methylsulfonyl)Phenyl]Vinyl}-1,2,4-Oxadiazole

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Properties Simple | Detailed

Formula C11H10N2O3S
IUPAC Name 3-[(e)-2-(4-methylsulfonylphenyl)vinyl]-1,2,4-oxadiazole
Molecular Mass 250.274 g·mol−1
Heat of Formation -63.6 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 276.22 Å 3
Surface Area 262.68 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-oxadiazole, 3-(2-(4-(methylsufonyl)phenyl)ethenyl)-, (e)-
  • 3-(4-methylsulfonylstyryl)-1,2,4-oxadiazole
  • 3-[(e)-2-(4-mesylphenyl)vinyl]-1,2,4-oxadiazole
  • 3-[(e)-2-(4-methylsulfonylphenyl)ethenyl]-1,2,4-oxadiazole
  • 3-[(e)-2-(4-methylsulfonylphenyl)vinyl]-1,2,4-oxadiazole
  • bti 2571(e)
  • bti 2571e
CAS Number(s)
  • 24664-14-0
InChIKey IYACHGURRCRVBZ-QPJJXVBHSA-N
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