5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol|5-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol|3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione|SR-01000268242-1|4H-1,2,4-triazole-3-thiol, 5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-|5-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol|5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(1,3-Benzodioxol-5-yloxy)methyl-4-phenyl-4H-1,2,4-triazole-3-thiol|5-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiol
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.06775 g/mol |
| LogP | 3.23759 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Monoisotopic Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 889.0862 |
Chemical Identifiers
| CAS Number | 609792-84-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4 |
Product Overview
5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 609792-84-9), with molecular formula C16H13N3O3S and molecular weight 327.06775 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is a custom synthesis product. We offer services from milligram to kilogram scale.
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