5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-2832 |
| Compound Name: | 5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 249.38 |
| Molecular Formula: | C13 H19 N3 S |
| Smiles: | Cn1c(C23CC4CC(CC(C4)C3)C2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.1732 |
| logD: | 2.7488 |
| logSw: | -3.09 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.8293 |
| InChI Key: | ANNIHKXRSJJMHU-UHFFFAOYSA-N |