methyl {[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7443 |
| Compound Name: | methyl {[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 243.32 |
| Molecular Formula: | C10 H17 N3 O2 S |
| Smiles: | CCn1c(C(C)C)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6098 |
| logD: | 1.6008 |
| logSw: | -1.6005 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.088 |
| InChI Key: | QHZAGZCWDBNECD-UHFFFAOYSA-N |