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Bis[2- (4-hydroxyphenylthio) ethoxy]methane

CAT: 0013-GTR19274887-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274887-01Size:10 mg
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Description
Bis[2- (4-hydroxyphenylthio) ethoxy]methane (DD-70) is a compound used as an alternative to bisphenol A (BPA) . It exhibits cytotoxic properties and alters the expression of genes associated with xenobiotic metabolism, bile acid, and cholesterol regulation.
CAS Number
93589-69-6
Smiles
OC1=CC=C (SCCOCOCCSC2=CC=C (O) C=C2) C=C1
Molecular Formula
C17H20O4S2
Molecular Weight
352.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenol, 4,4'-(methylenebis(oxy-2,1-ethanediylthio))bis-
CAS Number93589-69-6
PubChem CID3086375
IUPAC Name4-[2-[2-(4-hydroxyphenyl)sulfanylethoxymethoxy]ethylsulfanyl]phenol
Molecular FormulaC17H20O4S2
Molecular Weight352.5
XLogP3.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity262
SMILES
C1=CC(=CC=C1O)SCCOCOCCSC2=CC=C(C=C2)O
InChI
InChI=1S/C17H20O4S2/c18-14-1-5-16(6-2-14)22-11-9-20-13-21-10-12-23-17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2
InChIKey
QBZPUSKHVURBGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 4,4'-(methylenebis(oxy-2,1-ethanediylthio))bis-
CAS: 93589-69-6
CID: 3086375
Formula: C17H20O4S2
MW: 352.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass352.08030146
Monoisotopic Mass352.08030146
Topological Polar Surface Area110 Ų
Heavy Atom Count23
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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