RefChem:1052516
5-(3,5-dibromo-2-hydroxyphenyl)-3-[(3-methoxyanilino)methyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(((3-methoxyphenyl)amino)methyl)-|(6E)-2,4-dibromo-6-[4-[(3-methoxyanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
CAS: 81963-83-9
| Molecular Formula | C16H13Br2N3O3S |
|---|---|
| Molecular Weight | 484.90445 g/mol |
| LogP | 5.18139 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.90445 |
| Monoisotopic Mass | 486.9024 |
| Heavy Atoms | 25 |
| Complexity | 971.4991 |
Chemical Identifiers
| CAS Number | 81963-83-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O |
Product Overview
RefChem:1052516 (CAS 81963-83-9), with molecular formula C16H13Br2N3O3S and molecular weight 484.90445 g/mol. IUPAC: 5-(3,5-dibromo-2-hydroxyphenyl)-3-[(3-methoxyanilino)methyl]-1,3,4-oxadiazole-2-thione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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