5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C200-6438 |
| Compound Name: | 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 249.29 |
| Molecular Formula: | C11 H11 N3 O2 S |
| Smiles: | Cc1c(C(O)=O)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 1.261 |
| logD: | -4.9063 |
| logSw: | -2.108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.49 |
| InChI Key: | KLMXNZKPUDKYPR-UHFFFAOYSA-N |