4,4'-Sulfonyldiphenol

Synonyms: 4,4'-Sulfonyldiphenol, "Bisphenol S", "Bis(4-hydroxyphenyl) sulfone", "Phenol, 4,4'-sulfonylbis-", "4,4'-Dihydroxydiphenyl sulfone", "4-Hydroxyphenyl sulfone", "Bis(p-hydroxyphenyl) sulfone", "4,4'-Sulfonylbisphenol", "4-(4-hydroxyphenyl)sulfonylphenol", "Diphone C", "Bis(4-hydroxyphenyl)sulfone", "4,4'-Bisphenol S", "Bis(p-hydroxyphenyl)sulfone", "BPS 1", "4,4-Sulfonyldiphenol", "1,1'-Sulfonylbis(4-hydroxybenzene)", "P,P'-Dihydroxydiphenyl sulfone", "4,4'-Sulphonyldiphenol"

Source: bisphenol S is often used as a component of plastic substitutes for the production of baby bottles. It is also used as a developer in thermal paper, including in products marketed as "BPA-free paper".

Identifiers:

IUPAC Name: 4-(4-hydroxyphenyl)sulfonylphenol
CAS Number: 80-09-1
PubChem ID: 6626
InChiKey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₂H₁₀O₄S
Molecular Weight: 250,270

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 17

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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