{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | Y508-9963 |
| Compound Name: | {[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 329.24 |
| Molecular Formula: | C10 H9 Br N4 S2 |
| Smiles: | CCn1c(c2cc(cs2)[Br])nnc1SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.9239 |
| logD: | 2.9239 |
| logSw: | -2.9351 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.747 |
| InChI Key: | XBMIKKQZXDVRJF-UHFFFAOYSA-N |