CAS 80-09-1|Bis(4-hydroxyphenyl) sulphone|4,4'-Dihydroxydiphenyl sulphone|4-(4-hydroxybenzenesulfonyl)phenol|4-(4-hydroxybenzenesulfonyl)phenol|4,4'-Sulphonyldiphenol|bis(4-hydroxyphenyl)sulfone|4,4...

General Information

Structure

Molecular Formula

C₁₂H₁₀O₄S

Molecular Mass

250.2704

Exact Mass

250.0299798

Charge

InChI

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

InChIKey

VPWNQTHUCYMVMZ-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)O)c1ccc(cc1)O

Calculated Properties

JChem

LogD (pH = 7.4)

1.98

LogD (pH = 5.5)

2.32

Log P

2.32

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

7.42

Polar Surface Area

74.60

Polarizability

24.08

Molar Refractivity

63.55

LOG S

-2.44

Data Source

Names and Identifiers

Synonyms

Bis(4-hydroxyphenyl) sulphone4,4'-Dihydroxydiphenyl sulphone4,4'-Sulphonyldiphenolbis(4-hydroxyphenyl)sulfone4,4'-DIHYDROXYDIPHENYL SULFONE TECHNICAL GRADE4,4'-sulfonylbisphenolBPS双(4-羟基苯基)砜Bisphenol SBisphenol S4-Hydroxyphenyl sulfone4,4′-磺酰基二苯酚双(4-羟基苯基)砜4,4'-SulfonyldiphenolBis(4-hydroxyphenyl) sulfone4,4'-Dihydroxydiphenyl sulfoneBis(4-hydroxyphenyl) sulfone双酚 S4,4′-Sulfonyldiphenol4-羟基苯基砜1,1'-Sulfonylbis(4-hydroxybenzene)4,4'-Dihydroxydiphenyl sulfoneDHDPhSBisphenol SBis(4-hydroxyphenyl) sulfone4,4'-sulfonyldiphenolBis(p-hydroxyphenyl) sulfone

IUPAC Traditional name

4-(4-hydroxybenzenesulfonyl)phenol bisphenol S

IUPAC name

4-(4-hydroxybenzenesulfonyl)phenol

Names and Identifiers

Registration numbers

CAS Number

80-09-1

Wikipedia Title

Bisphenol_S

CHEMBL

384441CHEMBL384441