5-chloro-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline
Chemical Structure Depiction of
5-chloro-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline
5-chloro-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline
Compound characteristics
| Compound ID: | 8018-6598 |
| Compound Name: | 5-chloro-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline |
| Molecular Weight: | 254.74 |
| Molecular Formula: | C10 H11 Cl N4 S |
| Smiles: | Cc1nnc(n1C)Sc1ccc(cc1N)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0263 |
| logD: | 2.0263 |
| logSw: | -2.4173 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.195 |
| InChI Key: | AVHQHMUQWGSLMD-UHFFFAOYSA-N |