5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8006-6564 |
| Compound Name: | 5-hexyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 277.43 |
| Molecular Formula: | C15 H23 N3 S |
| Smiles: | CCCCCCC1(C)NN(C(=N1)S)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6129 |
| logD: | 0.8455 |
| logSw: | -4.3399 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 25.8221 |
| InChI Key: | SICFWIJQWWRONM-OAHLLOKOSA-N |