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94023-71-9

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Basic Information
CAS No.: 94023-71-9
Name: [(2-carboxyethoxy)methyl]dimethylsulphonium bromide
Molecular Structure:
Molecular Structure of 94023-71-9 ([(2-carboxyethoxy)methyl]dimethylsulphonium bromide)
Formula: C6H13BrO3S
Molecular Weight: 245.13462
Synonyms: Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (9CI);
EINECS: 301-669-4
PSA: 74.66000
LogP: -0.06350
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    [(2-Carboxyethoxy)methyl]dimethylsulfonium bromide

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  • Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (1:1)

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    Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (1:1)

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  • Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (1:1)

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    Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (1:1)

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  • (2-CARBOXYETHOXY)METHYL]DIMETHYLSULFONIUM BROMIDECAS

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    (2-CARBOXYETHOXY)METHYL]DIMETHYLSULFONIUM BROMIDECAS

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    (2-CARBOXYETHOXY)METHYL]DIMETHYLSULFONIUM BROMIDECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (1:1), with the CAS registry number 94023-71-9, is also known as ((2-Carboxyethoxy)methyl)dimethylsulphonium bromide. Its EINECS registry number is 301-669-4. This chemical's molecular formula is C6H13BrO3S and molecular weight is 245.13462. Its IUPAC name is called 2-carboxyethoxymethyl(dimethyl)sulfanium bromide.

Physical properties of Sulfonium,[(2-carboxyethoxy)methyl]dimethyl-, bromide (1:1): (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 5; (4)Exact Mass: 243.976878; (5)MonoIsotopic Mass: 243.976878; (6)Topological Polar Surface Area: 47.5; (7)Heavy Atom Count: 11; (8)Formal Charge: 0; (9)Complexity: 103; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[S+](C)COCCC(=O)O.[Br-]
(2)InChI: InChI=1S/C6H12O3S.BrH/c1-10(2)5-9-4-3-6(7)8;/h3-5H2,1-2H3;1H
(3)InChIKey: DQHDXZOADKGAAC-UHFFFAOYSA-N