2-[(2,5-Dichlorobenzyl)Sulfanyl]-5-Methyl[1,2,4]Triazolo[1,5-A]Pyrimidin-7-Ol
Properties
Property | Value |
---|---|
Formula | C13H10Cl2N4OS |
IUPAC Name | 2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol |
Molecular Mass | 341.216 g·mol−1 |
Heat of Formation | 1911.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.50 ± 1.08 D |
Volume | 333.22 Å 3 |
Surface Area | 307.19 Å 2 |
HOMO Energy | -9.33 ± 0.55 eV |
LUMO Energy | -4.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | VQASKKWJQGYGRL-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI |
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Elements | C Cl S O N |