2-{4-[(4-Chlorophenyl)Sulfanyl]-3,5-Dimethylphenyl}-3,5-Dioxo-2,3,4,5-Tetrahydro-1,2,4-Triazin-2-Ium
Properties
| Property | Value |
|---|---|
| Formula | C17H14ClN3O2S |
| IUPAC Name | 2-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethylphenyl}-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-ium |
| Molecular Mass | 359.830 g·mol−1 |
| Heat of Formation | -74.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.56 ± 1.08 D |
| Volume | 397.44 Å 3 |
| Surface Area | 346.61 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 1.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YLEMUUWGEWKCGK-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |