methyl [(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | Y205-7435 |
| Compound Name: | methyl [(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 215.27 |
| Molecular Formula: | C8 H13 N3 O2 S |
| Smiles: | CCc1nnc(n1C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.4287 |
| logD: | 0.4278 |
| logSw: | -0.8344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.149 |
| InChI Key: | QRRSMRPWSLDSJH-UHFFFAOYSA-N |