1-[(2-Hydroxyethoxy)Methyl]-5-(Phenylsulfanyl)-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C13H14N2O4S |
| IUPAC Name | 1-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-pyrimidin-1-ium-5-ylium-2,4-dione |
| Molecular Mass | 294.326 g·mol−1 |
| Heat of Formation | -557.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.30 ± 1.08 D |
| Volume | 334.82 Å 3 |
| Surface Area | 281.96 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | -0.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YWJXYUXIPSIOGG-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |