Ethyl methyl sulfone - CAS 594-43-4

Catalog:	BB030386
Product Name:	Ethyl methyl sulfone
CAS:	594-43-4
Synonyms:	1-methylsulfonylethane

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Computed Properties

IUPAC Name:	1-methylsulfonylethane
Description:	Ethyl methyl sulfone (CAS# 594-43-4) is a useful research chemical.
Molecular Weight:	108.16
Molecular Formula:	C3H8SO2
Canonical SMILES:	CCS(=O)(=O)C
InChI:	InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
InChI Key:	YBJCDTIWNDBNTM-UHFFFAOYSA-N
Boiling Point:	239.2 °C at 760 mmHg
Melting Point:	34 °C
Purity:	95 %
Density:	1.091 g/cm³
Appearance:	Solid
LogP:	1.13170

Publication Number	Title	Priority Date
US-2016158207-A1	Therapeutic compounds and uses thereof	20141127
WO-2015193167-A1	Pyrazolo-pyridine derivatives as kinase inhibitors	20140617
WO-2015193168-A1	Fused bicyclic heteroaromatic derivatives as kinase inhibitors	20140617
WO-2015193169-A1	Fused bicyclic heteroaromatic derivatives as kinase inhibitors	20140617
WO-2015186813-A1	Composition for dyeing keratin fibers	20140606

PMID	Publication Date	Title	Journal
22214428	20120118	Mechanistic insights into polar monomer insertion polymerization from acrylamides	Journal of the American Chemical Society
21919491	20111027	Electrochemical windows of sulfone-based electrolytes for high-voltage Li-ion batteries	The journal of physical chemistry. B
15470701	20050101	Determination of the sulphoxides and sulphones of three simple sulphides in rat urine: effects of phenobarbitone, beta-naphthoflavone and methimazole	Biomedical chromatography : BMC

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Related Functional Groups

Sulfur Compounds

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1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-73-8]
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[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.02450067
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.02450067
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0