Formula |
C11H12N2O2S |
IUPAC Name |
3-[2-(p-tolylsulfanyl)ethyl]oxadiazol-3-ium-5-olate |
Molecular Mass |
236.290 g·mol−1 |
Heat of Formation |
50.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.16 ± 1.08 D |
Volume |
277.15 Å 3 |
Surface Area |
249.74 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
2.27 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(2-(4-methylphenyl)thioethyl)-5-sydnone
- 3-[2-(4-methylphenyl)sulfanylethyl]-1,2,3-oxadiazol-3-ium-5-olate
- 3-[2-[(4-methylphenyl)thio]ethyl]-5-oxadiazol-3-iumolate
- 3-[2-[(4-methylphenyl)thio]ethyl]oxadiazol-3-ium-5-olate
- 3-mptes
- sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-
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CAS Number(s) |
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InChIKey |
ABEBSOCCFCCWFY-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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