methyl 4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8010-8047 |
| Compound Name: | methyl 4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | Cn1cnnc1SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.611 |
| logD: | 1.611 |
| logSw: | -2.1122 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.906 |
| InChI Key: | UMNLRWVXDOGLIY-UHFFFAOYSA-N |