methyl [(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | Y205-7440 |
| Compound Name: | methyl [(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 227.28 |
| Molecular Formula: | C9 H13 N3 O2 S |
| Smiles: | Cn1c(C2CC2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.8443 |
| logD: | 0.844 |
| logSw: | -1.0825 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.424 |
| InChI Key: | CGOMKAPZFNFKSG-UHFFFAOYSA-N |