bisphenol S

Synonyms: "bis(4-hydroxyphenyl)sulfone", "4,4'-sulfonyldiphenol", "bis(4-hydroxyphenyl) sulfone", "4-hydroxyphenyl sulfone", "4,4'-sulfonylbisphenol"

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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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Akahori Y, Nakai M, Yamasaki K, Takatsuki M, Shimohigashi Y, Ohtaki M. 2008. Relationship between the results of in vitro receptor binding assay to human estrogen receptor alpha and in vivo uterotrophic assay: Comparative study with 65 selected chemicals. Toxicol in Vitro 22(1):225-231.

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.