chempirical

Tetrabromobisphenol S

C12H6Br4O4SCAS 39635-79-5565.85 g/mol

Open in Covalent MOL file
OSOBrOHBrBrOHBr
Aryl halidePhenolSulfone

Properties

Molecular formula
C12H6Br4O4S
Molar mass
565.85 g/mol
Exact mass
561.6720 Da
logP
4.98Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
39635-79-5
SMILES
O=S(=O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIKey
JHJUYGMZIWDHMO-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Phenol, 4,4′-sulfonylbis[2,6-dibromo-
  • 4,4′-Sulfonylbis[2,6-dibromophenol]
  • Bis(3,5-dibromo-4-hydroxyphenyl) sulfone
  • 3,3′,5,5′-Tetrabromobisphenol S
  • 4,4′-Dihydroxy-3,5,3′,5′-tetrabromodiphenyl sulfone
  • 3,5,3′,5′-Tetrabromobisphenol S
  • Bis(4-hydroxy-3,5-dibromophenyl) sulfone
  • Flame cut 160R
  • FG 400S
  • EB 400S
  • NFPP
  • FR 640
  • 2,6-Dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol

Work with Tetrabromobisphenol S

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tribromophenol118-79-650 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-547 % similar 2,6-Dibromo-4-methylphenol2432-14-646 % similar 2,6-Dibromo-4-fluorophenol344-20-746 % similar 4-Amino-2,6-dibromophenol609-21-246 % similar 2,4,6-Tribromoresorcinol2437-49-244 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-044 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook