Formula |
C16H8F3N3O2S |
IUPAC Name |
s-[5-(trifluoromethyl)-1h-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate |
Molecular Mass |
363.314 g·mol−1 |
Heat of Formation |
-220.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.81 ± 1.08 D |
Volume |
373.28 Å 3 |
Surface Area |
357.58 Å 2 |
HOMO Energy |
-9.47 ± 0.55 eV |
LUMO Energy |
-1.80 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- f3f
- km 08667
- s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
- sr-01000643340-1
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InChIKey |
VNGWUVBXUIDQTK-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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