2-Bromo-4-(methylsulfonyl)toluene - CAS 702672-96-6

Catalog:	BB034117
Product Name:	2-Bromo-4-(methylsulfonyl)toluene
CAS:	702672-96-6
Synonyms:	2-bromo-1-methyl-4-methylsulfonylbenzene; 2-bromo-1-methyl-4-methylsulfonylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-1-methyl-4-methylsulfonylbenzene
Description:	2-Bromo-4-(methylsulfonyl)toluene (CAS# 702672-96-6) is a useful research chemical.
Molecular Weight:	249.12
Molecular Formula:	C8H9BrO2S
Canonical SMILES:	CC1=C(C=C(C=C1)S(=O)(=O)C)Br
InChI:	InChI=1S/C8H9BrO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3
InChI Key:	AIRSBUZFXFIKHJ-UHFFFAOYSA-N
LogP:	3.24180

Publication Number	Title	Priority Date
WO-2020244613-A1	2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor	20190606
EP-3901147-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	20190125
TW-201803871-A	Heterocyclic compound as PI3K-Î³ inhibitor	20160624
US-10138248-B2	Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-Î³ inhibitors	20160624
US-10479795-B2	Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors	20160624

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

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Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.95066
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.95066
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2