methyl {[1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D385-0341 |
| Compound Name: | methyl {[1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C12 H13 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(n1cnc(n1)SCC(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.544 |
| logD: | 1.544 |
| logSw: | -2.3907 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.84 |
| InChI Key: | IZZCPZYHEWLKBL-UHFFFAOYSA-N |