Formula |
C16H16FN5OS |
IUPAC Name |
1-(5-cyanopyridin-1-ium-5-id-2-yl)-3-[2-(4-ethoxy-5-fluoro-3h-pyridin-1-ium-3-id-6-yl)ethyl]thiourea |
Molecular Mass |
345.395 g·mol−1 |
Heat of Formation |
64.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.46 ± 1.08 D |
Volume |
405.07 Å 3 |
Surface Area |
314.15 Å 2 |
HOMO Energy |
-8.53 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-(5-cyano-pyridin-2-yl)-3-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)-ethyl]-thiourea
- 3-(5-cyano-2-pyridyl)-1-[2-(4-ethoxy-3-fluoro-2-pyridyl)ethyl]thiourea
- 3-(5-cyanopyridin-2-yl)-1-[2-(4-ethoxy-3-fluoro-pyridin-2-yl)ethyl]thiourea
- 3-(5-cyanopyridin-2-yl)-1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea
- fpt
- n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea
- pett-1
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InChIKey |
PQSCCWFMTRVFDA-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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