chempirical

Tetrabromobisphenol S bis(2,3-dibromopropyl ether)

C18H14Br8O4SCAS 42757-55-1965.60 g/mol

Open in Covalent MOL file
OSOBrOBrBrBrBrOBrBrBr
Alkyl halideAryl halideEtherSulfone

Properties

Molecular formula
C18H14Br8O4S
Molar mass
965.60 g/mol
Exact mass
957.4080 Da
Melting point
125 °C
logP
8.64Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10

Identifiers

CAS number
42757-55-1
SMILES
O=S(=O)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
InChIKey
CWZVMVIHYSYLSI-UHFFFAOYSA-N
InChI
InChI=1S/C18H14Br8O4S/c19-5-9(21)7-29-17-13(23)1-11(2-14(17)24)31(27,28)12-3-15(25)18(16(26)4-12)30-8-10(22)6-20/h1-4,9-10H,5-8H2

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

Names and synonyms

12 names
  • Benzene, 1,1′-sulfonylbis[3,5-dibromo-4-(2,3-dibromopropoxy)-
  • 1,1′-Sulfonylbis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]
  • Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl] sulfone
  • Nonnen PR 2
  • 4,4′-Bis(2,3-dibromopropoxy)-3,3′,5,5′-tetrabromodiphenyl sulfone
  • PR 2
  • Flame cut 161R
  • Nonnen 52
  • Fire cut P 65CN
  • Nonnen PR 2H
  • XZ 6600
  • 1,3-Dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]sulfonyl-2-(2,3-dibromopropoxy)benzene

Work with Tetrabromobisphenol S bis(2,3-dibromopropyl ether)

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

Tetrabromobisphenol A bis(2,3-dibromopropyl ether)21850-44-258 % similar Tetrabromobisphenol S39635-79-540 % similar Tris(2,3-dibromopropyl) phosphate126-72-733 % similar 1,2-Bis(2,4,6-tribromophenoxy)ethane37853-59-132 % similar

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

Elsewhere

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