8-((2,4-Dimethylphenyl)Thio)-3-(Pent-4-Yn-1-Yl)-3H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C18H19N5S |
| IUPAC Name | 8-(2,4-dimethylphenyl)sulfanyl-3-pent-4-ynyl-purin-6-amine |
| Molecular Mass | 337.442 g·mol−1 |
| Heat of Formation | 542.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.31 ± 1.08 D |
| Volume | 406.05 Å 3 |
| Surface Area | 327.63 Å 2 |
| HOMO Energy | -7.76 ± 0.55 eV |
| LUMO Energy | 1.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IIQUFGUOGYICIJ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C N |