8-(2,4-Dimethylphenyl)Sulfanyl-3-Pent-4-Ynyl-Purine-1,7,9-Triium-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C18H20N5S+ |
| IUPAC Name | 8-(2,4-dimethylphenyl)sulfanyl-3-pent-4-ynyl-purine-1,7,9-triium-6-amine |
| Molecular Mass | 338.450 g·mol−1 |
| Heat of Formation | 549.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.03 ± 1.08 D |
| Volume | 364.48 Å 3 |
| Surface Area | 333.53 Å 2 |
| HOMO Energy | -7.80 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RGFHWJOYCJOLIK-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S N |