2-Amino-5-(Phenylsulfanyl)-1,9-Dihydro-4H-Pyrimido[4,5-B]Indol-4-One
Properties
| Property | Value |
|---|---|
| Formula | C16H12N4OS |
| IUPAC Name | 2-amino-5-phenylsulfanyl-6,7,8,9-tetrahydro-3h-pyrimido[4,5-b]indole-1,2,4a,4b,5,6,7,8,8a,9a-decaid-4-one |
| Molecular Mass | 308.358 g·mol−1 |
| Heat of Formation | 263.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.12 ± 1.08 D |
| Volume | 341.35 Å 3 |
| Surface Area | 301.99 Å 2 |
| HOMO Energy | -8.01 ± 0.55 eV |
| LUMO Energy | -0.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RURPYDOTPJEGPP-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 |