AC1NX7RR
3-[(2-chloroanilino)methyl]-5-(3,5-dibromo-2-hydroxyphenyl)-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 3-(((2-chlorophenyl)amino)methyl)-5-(3,5-dibromo-2-hydroxyphenyl)-|(6E)-2,4-dibromo-6-[4-[(2-chloroanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
CAS: 81963-78-2
| Molecular Formula | C15H10Br2ClN3O2S |
|---|---|
| Molecular Weight | 488.8549 g/mol |
| LogP | 5.82619 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.8549 |
| Monoisotopic Mass | 490.85284 |
| Heavy Atoms | 24 |
| Complexity | 958.1325 |
Chemical Identifiers
| CAS Number | 81963-78-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O)Cl |
Product Overview
AC1NX7RR (CAS 81963-78-2), with molecular formula C15H10Br2ClN3O2S and molecular weight 488.8549 g/mol. IUPAC: 3-[(2-chloroanilino)methyl]-5-(3,5-dibromo-2-hydroxyphenyl)-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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