3,4,5,6-Tetrabromophenolsulfonephthalein
4-[4,5,6,7-tetrabromo-3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
Also Known As: 3,4,5,6-Tetrabromophenolsulfonephthalein|4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide|3456-Tbsp|Tetrabromosulfonephthalein|ARVZQGSXIKSAAY-UHFFFAOYSA-|HY-D0895|Sid 10375290|2049AC|FS-4998|3,4,5,6-Tetrabromophenol sulfonephthalein|4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)diphenol|I14-49507|3,4,5,6-Tetrabromophenolsulfonephthalein, Dye content 95 %|4-[4,5,6,7-tetrabromo-3-(4-hydroxyphenyl)-1,1-dioxo-2,1|2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid|2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienylidene)methy|2-[Hydroxybis(4-hydroxyphenyl)methyl]-3,4,5,6-tetrabromobenzenesulfonic acid gamma-sultone
| Molecular Formula | C19H10Br4O5S |
|---|---|
| Molecular Weight | 665.69824 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 665.69824 |
| Monoisotopic Mass | 665.69824 |
| Heavy Atoms | 29 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 78047-90-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC=C(C=C4)O)O |
| InChIKey | ARVZQGSXIKSAAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6-Tetrabromophenolsulfonephthalein (CAS 78047-90-2), with molecular formula C19H10Br4O5S and molecular weight 665.69824 g/mol. IUPAC: 4-[4,5,6,7-tetrabromo-3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol.