4,4'-thiobisphenol

Synonyms: "bis(4-oxyphenyl)sulfide", "thiobisphenol", "bis(4-hydroxyphenyl) sulfide", "4,4'-dihydroxydiphenyl sulfide"

Source: 4,4'-thiobisphenol is an industrial additive, used in the manufacture of wires.

Identifiers:

IUPAC Name: 4-(4-hydroxyphenyl)sulfanylphenol
CAS Number: 2664-63-3
PubChem ID: 17570
InChiKey: VWGKEVWFBOUAND-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1O)SC2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₂H₁₀O₂S
Molecular Weight: 218.272

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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