Methyl phenyl sulfone - CAS 3112-85-4

Catalog:	BB020806
Product Name:	Methyl phenyl sulfone
CAS:	3112-85-4
Synonyms:	methylsulfonylbenzene

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Computed Properties

IUPAC Name:	methylsulfonylbenzene
Description:	Methyl phenyl sulfone (CAS# 3112-85-4) is a useful research chemical.
Molecular Weight:	156.20
Molecular Formula:	C7H8O2S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1
InChI:	InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:	JCDWETOKTFWTHA-UHFFFAOYSA-N
Density:	1.19 g/cm³
MDL:	MFCD00014741
LogP:	2.17090

Publication Number	Title	Priority Date
US-2021179554-A1	Onium salt compound, chemically amplified resist composition and patterning process	20191212
WO-2021111185-A1	Compositions and methods related to molecular conjugation	20191202
WO-2021107872-A1	Composites, methods and uses thereof	20191126
WO-2021097324-A1	Covalent organic frameworks and applications as photocatalysts	20191115
US-2021095183-A1	Additives for polymer emulsion stabilization	20190930

PMID	Publication Date	Title	Journal
22904989	20120801	(2R,3S,4R)-3,4-Isopropyl-idenedi-oxy-2-(phenyl-sulfonyl-meth-yl)pyrrolidin-1-ol	Acta crystallographica. Section E, Structure reports online
22259451	20120101	(E)-4-Chloro-N-[4-(methyl-sulfon-yl)benzyl-idene]aniline	Acta crystallographica. Section E, Structure reports online
21886896	20110701	Design, synthesis and biological evaluation of new 5,5-diarylhydantoin derivatives as selective cyclooxygenase-2 inhibitors	Scientia pharmaceutica
21562587	20110512	In vivo and in vitro assessment of pathways involved in contrast media-induced renal cells apoptosis	Cell death & disease
21754431	20110501	(3R,4S)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2H-pyrrole 1-oxide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide

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GHS Hazard Statement:	H302 (95.74%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.02450067
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.02450067
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5