Product Name
2,2'-Thiobis(4,6-dichlorophenol)
Category
Monomers; Polymers
Description
2,2'-thiobis(4,6-dichlorophenol) appears as white or grayish white crystalline powder with a very faint aromatic or phenolic odor. (NTP, 1992)
IUPAC Name
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
Molecular Formula
C12H6Cl4O2S
Canonical SMILES
C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
InChI
InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChI Key
JFIOVJDNOJYLKP-UHFFFAOYSA-N
Melting Point
365.9 to 367.7 °F (NTP, 1992);188.0 °C;188 °C
Density
1.73 (NTP, 1992);1.73 at 25 °C/4 °C
Solubility
less than 1 mg/mL at 73° F (NTP, 1992);1.12e-05 M;Sol in dil caustic soln. A 4% sodium hydroxide soln will dissolve 16.2% bithionol. 15.0 g/100 ml acetone; 19.0 g/100 ml polysorbate 80; 72.5 g/100 ml dimethylacetamide; 5.0 g/100 ml lanolin at 42 °C; 4.0 g/100 ml pine oil; 1.0 g/100 ml corn oil; 0.5 g/100 ml propylene glycol; 0.3 g/100 ml 70% ethanol;Freely sol in ether; sol in chloroform and dilute soln of fixed alkali hydroxides;In water, 4 mg/L at 25 °C
Color/Form
White or grayish-white, crystalline powder
Covalently-Bonded Unit Count
1
Exact Mass
355.881311g/mol
Log P
log Kow = 5.91 (est)
MeSH Entry Terms
Bithionol;Bitin
Monoisotopic Mass
353.884261g/mol
Odor
Odorless or with slight aromatic or phenolic odor
Other Experimental
Henry's Law constant = 1.0X10-13 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.8X10-12 cu cm/molec-sec at 25 °C (est);log Kow= 4.13 /Bithionol sulfoxide/
Vapor Pressure
1.1e-09 mm Hg at 99 °F (NTP, 1992);1.1X10-9 mm Hg at 37 °C