Allyl methyl sulfone

Product Information

Molecular Formula:
C4H8O2S
Molecular Weight:
120.17
Description
Allyl methyl sulfone is a sulfone.
Synonyms
3-(Methylsulfonyl)-1-propene, MAS
IUPAC Name
3-methylsulfonylprop-1-ene
Canonical SMILES
CS(=O)(=O)CC=C
InChI
InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3
InChI Key
WOPDMJYIAAXDMN-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
0.96
Density
1.171 g/mL at 25 °C
Refractive Index
n20/D 1.472

Safety Information

Hazards
H317
Precautionary Statement
P280

Computed Properties

XLogP3
0.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
120.02450067 g/mol
Monoisotopic Mass
120.02450067 g/mol
Topological Polar Surface Area
42.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
138
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113131000-A Carbonate electrolyte and metal lithium battery 2021-04-19
CN-112972454-A Application of allicin in preparation of product for preventing or treating hereditary cardiomyopathy 2021-03-10
WO-2022046174-A1 Epoxy modified additives for lithium ion batteries 2020-08-27
US-2022045359-A1 Mechanically robust solid electrolyte compositions for alkali and beyond alkali metal batteries 2020-08-10
WO-2022035468-A1 Unsaturated additive for lithium ion battery 2020-08-10
JP-2022016004-A Polar group-containing olefin copolymer 2020-07-10
US-2021376382-A1 Lithium ion battery electrolyte additive 2020-06-01
WO-2021247513-A1 Lithium ion battery electrolyte additive 2020-06-01
US-2021376386-A1 Modified ionic liquids containing bicyclophosphate moiety 2020-05-27
WO-2021257242-A2 Modified ionic liquids containing bicyclophosphate moiety 2020-05-27

Literatures

PMID Publication Date Title Journal
12593760 2002-12-01 In vivo metabolism of diallyl disulphide in the rat: identification of two new metabolites Xenobiotica; the fate of foreign compounds in biological systems
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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