methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7431 |
| Compound Name: | methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C13 H17 N3 O2 S2 |
| Smiles: | CCc1c(csc1C)c1nnc(n1C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6387 |
| logD: | 2.633 |
| logSw: | -2.6656 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.92 |
| InChI Key: | DOHBXSRBXCOZMX-UHFFFAOYSA-N |