4,4-Sulfonylbis(2-methylphenol)
Product Information
Molecular Formula
O2S[C6H3(CH3)OH]2
Molecular Weight
278.32
Description
4,4-Sulfonylbis(2-methylphenol) is a vital compound used in the biomedical industry. It is extensively applied in the formulation of pharmaceutical drugs targeting various diseases, such as cancers and inflammatory disorders. With its exceptional therapeutic properties, this compound plays a crucial role in the treatment and management of numerous medical conditions.
Synonyms
3,3'-Dimethyl-4,4'-dihydroxydiphenyl sulfone,4,4'-Sulfonylbis[2-methylphenol],Bis(3-methyl-4-hydroxyphenyl)sulfone
IUPAC Name
4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3
InChI Key
XTEGBRKTHOUETR-UHFFFAOYSA-N
Boiling Point
518.8±50.0 °C(Predicted)
Melting Point
273-276 °C (lit.)
Purity
0.97
Density
1.343±0.06 g/cm3(Predicted)
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
2.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
278.06128010 g/mol
Monoisotopic Mass
278.06128010 g/mol
Topological Polar Surface Area
83Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
368
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2021049782-A | Fiber composite and its manufacturing method | 2020-11-26 |
| JP-2022032702-A | Resin composition and optical lens and optical film containing it | 2020-08-13 |
| JP-2022032076-A | Polycarbonate resin composition | 2020-08-11 |
| JP-2022013866-A | Temperature control indicator and how to use it | 2020-06-30 |
| WO-2022004475-A1 | Polycarbonate resin composition and molded article | 2020-06-30 |
| JP-2022008266-A | Aqueous ink composition for writing tools and writing tools containing them | 2020-06-26 |
| JP-2022006878-A | Aqueous ink composition for heat-discolorable writing tools, and writing tools using it | 2020-06-25 |
| WO-2021261195-A1 | Optical film, optical film manufacturing method, transparent conductive film, and gas barrier film | 2020-06-23 |
| JP-2021188049-A | Aqueous ink composition for ballpoint pens and ballpoint pens using them | 2020-05-29 |
| WO-2021235272-A1 | Aromatic polycarbonate resin composition and molded article thereof | 2020-05-19 |
