methyl [(1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(1H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D385-0337 |
| Compound Name: | methyl [(1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 173.19 |
| Molecular Formula: | C5 H7 N3 O2 S |
| Smiles: | COC(CSc1nc[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1799 |
| logD: | -0.1857 |
| logSw: | -1.8521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.243 |
| InChI Key: | KLFSTRVXOZDNGG-UHFFFAOYSA-N |