RefChem:528724
3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-Butyl-phenoxymethyl)-4-m-tolyl-4H-[1,2,4]triazole-3-thiol|5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|F1252-1267|5-((4-(tert-butyl)phenoxy)methyl)-4-(m-tolyl)-4H-1,2,4-triazole-3-thiol|3-((4-(tert-Butyl)phenoxy)methyl)-4-(m-tolyl)-1H-1,2,4-triazole-5(4H)-thione|3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione|5-{[4-(tert-butyl)phenoxy]methyl}-4-(3-methylphenyl)-1,2,4-triazole-3-thiol|5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(3-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE|644-786-9
| Molecular Formula | C20H23N3OS |
|---|---|
| Molecular Weight | 353.1562 g/mol |
| LogP | 5.11481 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.1562 |
| Monoisotopic Mass | 353.1562 |
| Heavy Atoms | 25 |
| Complexity | 917.1046 |
Chemical Identifiers
| CAS Number | 538337-72-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C(C)(C)C |
Product Overview
RefChem:528724 (CAS 538337-72-3), with molecular formula C20H23N3OS and molecular weight 353.1562 g/mol. IUPAC: 3-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
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