5-(4-{[(4,6-Diamino-2-Pyrimidinyl)Sulfanyl]Methyl}-5-Propyl-1,3-Thiazol-2-Yl)-2-Methoxyphenol
Properties
| Property | Value |
|---|---|
| Formula | C18H21N5O2S2 |
| IUPAC Name | 5-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-thiazol-2-yl]-2-methoxy-phenol |
| Molecular Mass | 403.522 g·mol−1 |
| Heat of Formation | -51.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.52 ± 1.08 D |
| Volume | 461.14 Å 3 |
| Surface Area | 417.66 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | 2.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UFTDEMPMKXDHOK-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |