| SpectraBase Spectrum ID |
8P1fE43PR5w |
| Name |
2-sulfanylidene-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrimidin-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H5F3N2O2S |
| InChI |
InChI=1S/C6H5F3N2O2S/c7-6(8,9)3(12)2-1-10-5(14)11-4(2)13/h1,3,12H,(H2,10,11,13,14) |
| InChIKey |
WPCMUYTTZKCSMO-UHFFFAOYSA-N |
| Molecular Weight |
226.173 g/mol |
| SMILES |
N1C(NC=C(C(C(F)(F)F)O)C1=O)=S |
| SPLASH |
splash10-0002-9040000000-704051385f3661dfeaf2 |
| Source of Spectrum |
AJ-73-250-8 |
| Synonyms |
2-sulfanylidene-5-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]-1H-pyrimidin-4-one
2-thioxo-5-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyrimidin-4-one |
| Wiley ID |
775338 |
