| Formula |
C12H14F3N3O2S |
| IUPAC Name |
2-[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)ethanone |
| Molecular Mass |
321.319 g·mol−1 |
| Heat of Formation |
-893.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.27 ± 1.08 D |
| Volume |
341.74 Å 3 |
| Surface Area |
311.77 Å 2 |
| HOMO Energy |
-9.08 ± 0.55 eV |
| LUMO Energy |
1.59 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-(2-oxo-2-piperidin-1-yl-ethyl)sulfanyl-6-(trifluoromethyl)-1h-pyrimidin-4-one
- 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6-(trifluoromethyl)-1h-pyrimidin-4-one
- 2-[(2-keto-2-piperidino-ethyl)thio]-6-(trifluoromethyl)-1h-pyrimidin-4-one
- 2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol
- 2-[(2-oxo-2-piperidin-1-ylethyl)thio]-6-(trifluoromethyl)pyrimidin-4(1h)-one
- 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-6-(trifluoromethyl)-1h-pyrimidin-4-one
- 2-[[2-oxo-2-(1-piperidyl)ethyl]thio]-6-(trifluoromethyl)-1h-pyrimidin-4-one
- b1v
|
| InChIKey |
UDBHGUOSOKOIAX-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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