N,N-dimethyl-4-({[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)aniline
Chemical Structure Depiction of
N,N-dimethyl-4-({[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)aniline
N,N-dimethyl-4-({[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)aniline
Compound characteristics
| Compound ID: | K060-0083 |
| Compound Name: | N,N-dimethyl-4-({[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)aniline |
| Molecular Weight: | 261.35 |
| Molecular Formula: | C12 H15 N5 S |
| Smiles: | CN(C)c1ccc(/C=N/n2cnnc2SC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6328 |
| logD: | 1.6303 |
| logSw: | -1.7583 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.719 |
| InChI Key: | KBQPFBRPUKUHHE-UHFFFAOYSA-N |