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Basic Information
CAS No.: 3493-12-7
Name: DL-METHIONINE METHYLSULFONIUM CHLORIDE
Molecular Structure:
Molecular Structure of 3493-12-7 (DL-METHIONINE METHYLSULFONIUM CHLORIDE)
Formula: C6H14 NO2 S.Cl
Molecular Weight: 199.702
Synonyms: Sulfonium,(3-amino-3-carboxypropyl)dimethyl-, chloride (9CI);Sulfonium,(3-amino-3-carboxypropyl)dimethyl-, chloride, (?à)-;Sulfonium, (3-amino-3-carboxypropyl)dimethyl-,chloride, DL- (8CI);(3-Amino-3-carboxypropyl)dimethylsulfonium chloride;DL-Methionine methylsulfonium chloride;dl-Methionine methylsulphoniumchloride;g-Dimethylsulfonium-a-aminobutyric acid chloride;Vitamin U(DL METHIONINE S METHYLSULFONIUM CHLORIDE);
EINECS: 222-484-4
Melting Point: 139-140 °C (dec.)
Safety: 24/25
PSA: 88.62000
LogP: -2.62940
Synthetic route
3493-12-7

DL-methionine-S-methylsulfonium chloride

56-40-6

glycine

zinc(II) oxide

(diaquachloro-S-methylmethioniato)(glycinato)zinc

Conditions
ConditionsYield
In water reaction of ZnO with ligands in H2O (equimolar amounts); elem. anal.;96%
3493-12-7

DL-methionine-S-methylsulfonium chloride

617-45-8

aspartic Acid

zinc(II) oxide

(diaquachloro-S-methylmethioninato)(asparaginato)-O,O'-zinc

Conditions
ConditionsYield
In ethanol reaction of ZnO with ligands in H2O (equimolar amounts); elem. anal.;96%
3493-12-7

DL-methionine-S-methylsulfonium chloride

302-72-7

rac-Ala-OH

zinc(II) oxide

(aquachloro-S-methylmethioniato)(alaninato)zinc

Conditions
ConditionsYield
In water reaction of ZnO with ligands in H2O (equimolar amounts); elem. anal.;95%
617-65-2

Glutamic acid

3493-12-7

DL-methionine-S-methylsulfonium chloride

zinc(II) oxide

132032-38-3

(aquachloro-S-methylmethionato)(glutaminato)-O,O'-zinc

Conditions
ConditionsYield
In water reaction of ZnO with ligands in H2O (equimolar amounts); elem. anal.;93%
16887-00-6

chloride

3493-12-7

DL-methionine-S-methylsulfonium chloride

chloroperoxidase

chloroperoxidase

A

74-83-9

methyl bromide

B

74-87-3

methylene chloride

C

74-88-4

methyl iodide

Conditions
ConditionsYield
With sea salt; dihydrogen peroxide; potassium carbonate In phosphate buffer Methylation;
10097-32-2

bromide

3493-12-7

DL-methionine-S-methylsulfonium chloride

chloroperoxidase

chloroperoxidase

A

74-83-9

methyl bromide

B

74-88-4

methyl iodide

Conditions
ConditionsYield
With sea salt; dihydrogen peroxide; potassium carbonate In phosphate buffer Methylation;
3493-12-7

DL-methionine-S-methylsulfonium chloride

chloroperoxidase

chloroperoxidase

A

74-83-9

methyl bromide

B

74-88-4

methyl iodide

Conditions
ConditionsYield
With sea salt; dihydrogen peroxide; potassium carbonate In phosphate buffer Methylation;
3493-12-7

DL-methionine-S-methylsulfonium chloride

A

(3-carboxy-3-chloro-propyl)-dimethyl sulfonium

B

<3-carboxy-3-hydroxy-propyl>-dimethyl sulfonium

<3-carboxy-3-hydroxy-propyl>-dimethyl sulfonium

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite

cobalt(III) hydroxide

3493-12-7

DL-methionine-S-methylsulfonium chloride

Co{(CH3)2S(Cl)(CH2)2CH(NH2)COO}3*2H2O

Conditions
ConditionsYield
In not given room temp.;

cobalt(III) hydroxide

3493-12-7

DL-methionine-S-methylsulfonium chloride

Co{(CH3)2S(Cl)(CH2)2CH(NH2)COO}3*4H2O

Conditions
ConditionsYield
In not given heating (67-70°C, 3 h);
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Specification

The Sulfonium,(3-amino-3-carboxypropyl)dimethyl-, chloride (1:1), with the cas registry number 3493-12-7, has the IUPAC name of (3-amino-4-hydroxy-4-oxobutyl)-dimethylsulfanium chloride. And its product categories are including Iodonium Sulfonium & Oxonium Compounds; Sulfonium Compounds.

The characteristics of this kind of chemical are as follows: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 63.32; (5)Exact Mass: 199.043377; (6)MonoIsotopic Mass: 199.043377; (7)Topological Polar Surface Area: 64.3; (8)Heavy Atom Count: 11; (9)Complexity: 116; (10)Undefined Atom StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2.

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C[S+](C)CCC(C(=O)O)N.[Cl-]
(2)InChI: InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H
(3)InChIKey: MYGVPKMVGSXPCQ-UHFFFAOYSA-N