4,4-Sulfonylbis(2-methylphenol)

Inquiry

Molecular Formula:

O2S[C6H3(CH3)OH]2

Molecular Weight:

278.32

CAS Number:

16346-97-7

Catalog Number:

16346-97-7

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

Canonical 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 ℃(Predicted)

Melting Point

273-276 ℃ (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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.06128010 g/mol

Monoisotopic Mass

278.06128010 g/mol

Topological Polar Surface Area

83Å²

Heavy Atom Count

Formal Charge

Complexity

368

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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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

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The dilution calculator equation

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