Butyl sulfone - CAS 598-04-9

Catalog:	BB030510
Product Name:	Butyl sulfone
CAS:	598-04-9
Synonyms:	1-butylsulfonylbutane

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Computed Properties

IUPAC Name:	1-butylsulfonylbutane
Description:	Butyl sulfone (CAS# 598-04-9) is a useful research chemical.
Molecular Weight:	178.29
Molecular Formula:	C8H18O2S
Canonical SMILES:	CCCCS(=O)(=O)CCCC
InChI:	InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
InChI Key:	AIDFJGKWTOULTC-UHFFFAOYSA-N
Boiling Point:	287-295 °C
Melting Point:	46 °C
Purity:	> 97.0 %
Density:	0.981 g/cm³
Appearance:	White to almost white powder to crystal
MDL:	MFCD00007571
LogP:	3.08220

Publication Number	Title	Priority Date
CN-113292457-A	Adduct polyamine for crack sealer and preparation method and application thereof	20210527
CN-113097566-A	Imide additive containing sulfonated side chain, electrolyte and lithium ion battery thereof	20210401
CN-113013488-A	Electrolyte and lithium ion battery comprising same	20210225
CN-113013489-A	Electrolyte and lithium ion battery comprising same	20210225
CN-112851564-A	Sulfonated group-containing phthalimide additive, electrolyte containing same and lithium ion battery	20210128

PMID	Publication Date	Title	Journal
21898103	20120201	Soil and cultivar type shape the bacterial community in the potato rhizosphere	Microbial ecology
21919491	20111027	Electrochemical windows of sulfone-based electrolytes for high-voltage Li-ion batteries	The journal of physical chemistry. B
21754273	20110501	Lithium difluoro-(oxalato)borate tetra-methyl-ene sulfone disolvate	Acta crystallographica. Section E, Structure reports online
20877871	20101107	Ion mobility-mass spectrometry of phosphorylase B ions generated with supercharging reagents but in charge-reducing buffer	Physical chemistry chemical physics : PCCP
18291579	20080915	Effect of temperature and initial dibutyl sulfide concentration in chloroform on its oxidation rate by ozone	Journal of hazardous materials

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.10275099
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.10275099
Rotatable Bond Count:	6
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1