5-(4-bromothiophen-2-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromothiophen-2-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
5-(4-bromothiophen-2-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5610 |
| Compound Name: | 5-(4-bromothiophen-2-yl)-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 348.28 |
| Molecular Formula: | C11 H14 Br N3 O S2 |
| Smiles: | CCOCCCn1c(c2cc(cs2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.9742 |
| logD: | 2.8663 |
| logSw: | -2.9527 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.96 |
| InChI Key: | IGNBXLGUUWIBJN-UHFFFAOYSA-N |