AC1M7BBL
3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole
Also Known As: 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole|3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole|3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole|3-[(2,6-dichlorophenyl)methylthio]-5-[4-(tert-butyl)phenyl]-4-ethyl-1,2,4-tria zole|3-(4-tert-butylphenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
| Molecular Formula | C21H23Cl2N3S |
|---|---|
| Molecular Weight | 419.09897 g/mol |
| LogP | 6.8616 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.09897 |
| Monoisotopic Mass | 419.09897 |
| Heavy Atoms | 27 |
| Complexity | 907.34 |
Chemical Identifiers
| CAS Number | 736147-89-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1M7BBL (CAS 736147-89-0), with molecular formula C21H23Cl2N3S and molecular weight 419.09897 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole.
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