4-(butan-2-yl)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(butan-2-yl)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(butan-2-yl)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | Y510-4600 |
| Compound Name: | 4-(butan-2-yl)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 289.44 |
| Molecular Formula: | C16 H23 N3 S |
| Smiles: | CCC(C)N1C(c2ccc(cc2)C(C)(C)C)=NNC1=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3318 |
| logD: | 5.1496 |
| logSw: | -5.4185 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1615 |
| InChI Key: | HBEPSECSLBADSP-NSHDSACASA-N |