4-amino-5-[(4-tert-butylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-[(4-tert-butylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-amino-5-[(4-tert-butylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-0126 |
| Compound Name: | 4-amino-5-[(4-tert-butylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 278.37 |
| Molecular Formula: | C13 H18 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1N)S |
| Stereo: | ACHIRAL |
| logP: | 2.2959 |
| logD: | 1.5836 |
| logSw: | -2.4909 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 49.36 |
| InChI Key: | SMZUXYWGELHKIX-UHFFFAOYSA-N |