AC1Q3YKY
3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
Also Known As: 3-(4-(tert-butyl)phenyl)-5-((2,5-dimethylbenzyl)thio)-4-methyl-4H-1,2,4-triazole|3-(4-tert-butylphenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole|3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole|5-[4-(tert-butyl)phenyl]-3-[(2,5-dimethylphenyl)methylthio]-4-methyl-1,2,4-tri azole|3-(4-tert-butylphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C22H27N3S |
|---|---|
| Molecular Weight | 365.19257 g/mol |
| LogP | 5.68874 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.19257 |
| Monoisotopic Mass | 365.19257 |
| Heavy Atoms | 26 |
| Complexity | 902.1271 |
Chemical Identifiers
| CAS Number | 848990-93-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1Q3YKY (CAS 848990-93-2), with molecular formula C22H27N3S and molecular weight 365.19257 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.
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