4-{[(2-Amino-6-Oxo-6,7-Dihydro-3H-Purin-8-Yl)Sulfanyl]Methyl}Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C13H10N6OS |
| IUPAC Name | 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]benzonitrile |
| Molecular Mass | 298.323 g·mol−1 |
| Heat of Formation | 2372.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.20 ± 1.08 D |
| Volume | 306.32 Å 3 |
| Surface Area | 299.88 Å 2 |
| HOMO Energy | -9.78 ± 0.55 eV |
| LUMO Energy | -4.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GWZOSZRSFBULCC-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |