5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0466 |
| Compound Name: | 5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 261.36 |
| Molecular Formula: | C12 H11 N3 S2 |
| Smiles: | CCn1c(c2csc3ccccc23)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.1195 |
| logD: | 2.7751 |
| logSw: | -3.1454 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4575 |
| InChI Key: | LRRDTJUVWSJCMS-UHFFFAOYSA-N |