S-Methyl-L-cysteine sulfoxide
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S-Methyl-L-cysteine sulfoxide
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CAS No:
6853-87-8
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Formula:
C4H9NO3S
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Chemical Name:
S-Methyl-L-cysteine sulfoxide
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Synonyms:
L-Cysteine,S-methyl-,S-oxide;Alanine,3-(methylsulfinyl)-,L-;L-Alanine,3-(methylsulfinyl)-;S-Methyl-L-cysteine sulfoxide;S-Methylcysteine sulfoxide;S-Methylcysteine S-oxide;NSC 226572;Kale anemia factor;(2R)-2-Azaniumyl-3-methylsulfinylpropanoate;17818-22-3
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CAS No:
S-Methyl-L-cysteine sulfoxide Use and Manufacturing
Pure MCS (0.2 mol) obtained in step (2) was dissolved in 300 mL of distilled water, and 0.25 mol of hydrogen peroxide solution (30percent) was slowly added with magnetic stirring, and stirring was continued at room temperature for 12 h to obtain a crude MCSO solution. The insoluble impurities in the solution were removed by filtration, and then 2 L of absolute ethanol was added and after placing it at 4 ° C for 12 h the MCSO crystals were formed. The crystals were filtered and dried at 50 ° C to give 28 g of MCSO. [0049] (4) The MCS0 crystal obtained in step (3) was dissolved in 120 mL of distilled water, heated to 50 ° C, added to a 50 ° C first dilute acetone solution (77 mL of distilled water + 394 mL of acetone) and cooled to room temperature. The solution was allowed to stand at 4 ° C for 6-12 hours for crystallization. After drying , 6.9 g of crystals were filtered, redissolved in 23 mL of distilled water, 50 ° C of a second dilute acetone solution (19 mL of distilled water + 95 mL of acetone) was added, the mixture was filtered hot, cooled to room temperature, and the solution was placed at 4 ° C for 6- 12h for crystallization. After filtration and drying , the obtained 3.5 g of crystals was redissolved in 11.5 mL of distilled water, a 50 ° C solution of the third dilute acetone (10 mL of distilled water + 45 mL of acetone) was added, the mixture was filtered hot, cooled to room temperature, and the solution was placed at 4 ° C -12h for crystallization, to obtain a pure (+) MCSO of about 2.82g. [0050] Take the amount of MCSO sample dried to constant weight, accurately weighed, dissolved in distilled water to make 1mg / mL solution, 20 ° C, the wavelength of 589.3nm, using 10mm microtube in the WXG-4 disk polarimeter detection.
An alliin analogue
Computed Properties
Molecular Weight:151.19
XLogP3:-4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:151.03031432
Monoisotopic Mass:151.03031432
Topological Polar Surface Area:99.6
Heavy Atom Count:9
Complexity:136
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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