methyl [(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | Y206-5350 |
| Compound Name: | methyl [(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 229.3 |
| Molecular Formula: | C9 H15 N3 O2 S |
| Smiles: | CCCn1c(C)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.8705 |
| logD: | 0.8702 |
| logSw: | -0.9874 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.118 |
| InChI Key: | GGMVMDOVXUMOHM-UHFFFAOYSA-N |