3,3′-Sulfonylbis[phenol]

C₁₂H₁₀O₄SCAS 46765-03-1250.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀O₄S
Molar mass: 250.27 g/mol
Exact mass: 250.0300 Da
Melting point: 186–187 °C
logP: 1.93Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

46765-03-1

SMILES

O=S(=O)(c1cccc(O)c1)c1cccc(O)c1

InChIKey

OQYYLPLRBBDFLA-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O4S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8,13-14H

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Names and synonyms

2 names

Phenol, 3,3′-sulfonylbis-
3,3′-Dihydroxydiphenyl sulfone

Work with 3,3′-Sulfonylbis[phenol]

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

Resorcinol108-46-352 % similar 3,3'-Sulphonyldianiline599-61-152 % similar Diphenyl sulfone127-63-948 % similar 2,4-Bis(phenylsulfonyl)phenol177325-75-647 % similar 3,3'-Biphenyldiol612-76-046 % similar 1,1′-Sulfonylbis[3-nitrobenzene]1228-53-144 % similar 3-Hydroxybenzyl alcohol620-24-643 % similar 3-Chlorophenol108-43-043 % similar

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

Same formula

2,4'-Dihydroxydiphenyl sulfone5397-34-2 Bisphenol S80-09-1 4,4′-Thiobis[1,3-benzenediol]97-29-0

Elsewhere

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