1,7-bis(4-Hydroxyphenylthio)-3,5-dioxaheptane

Synonyms: "1,7-Bis(4-hydroxyphenylthio)-3,5-dioxaheptane", "4-4'-methylenebis(oxyethylenethio)diphenol", "bis[2-(4-hydroxyphenylthio)ethoxy]methane"

Source: 1,7-bis(4-Hydroxyphenylthio)-3,5-dioxaheptane is an alternative for bisphenol A in thermal paper.

Identifiers:

IUPAC Name: 4-[2-[2-(4-hydroxyphenyl)sulfanylethoxymethoxy]ethylsulfanyl]phenol
CAS Number: 93589-69-6
PubChem ID: 3086375
InChiKey: QBZPUSKHVURBGP-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1O)SCCOCOCCSC2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₇H₂₀O₄S₂
Molecular Weight: 352.5

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 23

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

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