methyl {[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetate
methyl {[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8015-2732 |
| Compound Name: | methyl {[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetate |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C12 H14 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(nnn1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4739 |
| logD: | 2.4739 |
| logSw: | -2.5417 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.438 |
| InChI Key: | AGTNWGWCUYGFCG-UHFFFAOYSA-N |