{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | Y500-8591 |
| Compound Name: | {[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 357.29 |
| Molecular Formula: | C12 H13 Br N4 S2 |
| Smiles: | CCc1c(cc(c2nnc(n2CC)SCC#N)s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7201 |
| logD: | 3.72 |
| logSw: | -3.8837 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.747 |
| InChI Key: | HLFFOCNEPZZOLM-UHFFFAOYSA-N |