2-Amino-8-{[2-(3-Methylphenyl)-2-Oxoethyl]Sulfanyl}-1,7-Dihydro-6H-Purin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C14H13N5O2S |
| IUPAC Name | 2-amino-8-[2-(m-tolyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one |
| Molecular Mass | 315.350 g·mol−1 |
| Heat of Formation | 31.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.25 ± 1.08 D |
| Volume | 346.45 Å 3 |
| Surface Area | 326.43 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | -0.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KDLSQBTYPBZMRM-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 O N |