Sulfobetaine supplier | CasNO.4727-41-7

Name
Sulfobetaine
EINECS
CAS No. 4727-41-7
Article Data9
CAS DataBase
Density
Solubility
Melting Point 241-242 °C(Solv: ethanol (64-17-5))
Formula C₄H₈O₂S
Boiling Point
Molecular Weight 120.172
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Carboxymethyl)dimethylsulfoniumhydroxide, inner salt (7CI);Sulfonium, (carboxymethyl)dimethyl-, hydroxide,inner salt (8CI);2,2-Dimethylthetin;Acetothetin, dimethyl-;Dimethylsulfonioacetate;Dimethylthetin;Thetin, dimethyl-;Thiobetaine;
PSA 65.43000
LogP -1.38580

Synthetic route

: 75-18-3
dimethylsulfide

: 79-08-3
bromoacetic acid

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
at 55℃; for 0.0333333h;	61%

: 625-63-8, 19643-24-4
carboxymethyl-dimethyl sulfonium ; hydroxide

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
bei 8-taegigem Stehen im Vakuum ueber Schwefelsaeure;

: 2444-37-3
methylsulfanyl-acetic acid

: 77-78-1
dimethyl sulfate

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
With water in neutraler, schwach saurer oder schwach alkal.Loesung;

: 7380-81-6
ethyl (dimethylsulfuranylidene)acetate

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
In water Heating;

: 5187-82-6
(ethoxycarbonylmethyl)dimethylsulfonium bromide

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
With silver(l) oxide

: 103548-67-0
(Dimethylsulfuranyliden)essigsaeure-methylester

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
In tetrahydrofuran

: 2444-37-3
methylsulfanyl-acetic acid

: 7732-18-5
water

: 77-78-1
dimethyl sulfate

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
in neutraler, schwach saurer oder schwach alkal. Loesung;

...Expand

: 6027-13-0
L-homocysteine

A: 4727-41-7
dimethylsulfonioacetate

B: 107-43-7
betaine

C 3-dimethylsulfonio-proionoic acid betaine: 3-dimethylsulfonio-proionoic acid betaine

Conditions

Conditions	Yield
ueber die Methylierung in Gegenwart von Transmethylase-Praeparaten aus Leber und Niere unter anaeroben Bedingungen;

...Expand

dimethylthetin-base: dimethylthetin-base

: 4727-41-7
dimethylsulfonioacetate

Conditions

Conditions	Yield
bei 8-taegigem Stehen im Vakuum uebeer Schwefelsaeure;

: 4727-41-7
dimethylsulfonioacetate

: 4124-31-6
trichloroacetic acid anhydride

: Dimethylsulfonium-di-trichloracetyl-methylid

Conditions

Conditions	Yield
at 0 - 40℃; for 2h;	71.4%

: 4727-41-7
dimethylsulfonioacetate

: 407-25-0
trifluoroacetic anhydride

: 104917-89-7
Dimethylsulfonium-di-trifluoracetyl-methylid

Conditions

Conditions	Yield
at 0 - 23℃; for 5h;	65%

: 4727-41-7
dimethylsulfonioacetate

: 456-27-9
4-nitrobenzenediazonium tetrafluoroborate

: 1,5-Bis-(4-nitrophenyl)-3-dimethylsulfonium-formazan-tetrafluorborat

Conditions

Conditions	Yield
In acetic acid at 20℃; for 40h;	30%

: 4727-41-7
dimethylsulfonioacetate

: 541-88-8
Chloroacetic anhydride

: Dimethylsulfonium-di-chloracetyl-methylid

Conditions

Conditions	Yield
at 40℃; for 0.833333h;	27%

: 4727-41-7
dimethylsulfonioacetate

: 76-02-8
Trichloroacetyl chloride

: Dimethylsulfonium-trichloracetyl-methylid-hydrochlorid-hydrat

Conditions

Conditions	Yield
at 20 - 42℃; for 4h;	11.6%

: 454-29-5
2-amino-4-mercaptobutyric acid

: 4727-41-7
dimethylsulfonioacetate

: 59-51-8
DL-methionine

Conditions

Conditions	Yield
at 38℃; Kinetics; Geschwindigkeit in Gegenwart verschiedener Leberfermentpraeparate unter anaeroben Bedingungen; Einfluss des pH;

: 4727-41-7
dimethylsulfonioacetate

: 106-49-0
p-toluidine

A: 5602-96-0
methyl p-tolylcarbamate

B: 623-08-5
N-methyl-p-toluidine

C: 621-00-1
1,3-di-p-tolylurea

Conditions

Conditions	Yield
at 140℃;

...Expand

: 4727-41-7
dimethylsulfonioacetate

: 62-53-3
aniline

A: 2567-62-6
N-phenylglycine anilide

B: 100-61-8
N-methylaniline

C: 102-07-8
bis(diphenyl)urea

Conditions

Conditions	Yield
at 140℃;

...Expand

: 4727-41-7
dimethylsulfonioacetate

: 108-95-2
phenol

A: 75-18-3
dimethylsulfide

B: 2444-37-3
methylsulfanyl-acetic acid

C: 100-66-3
methoxybenzene

D: 122-59-8
2-phenoxyacetic acid

Conditions

Conditions	Yield
at 140℃;

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 4727-41-7
dimethylsulfonioacetate

: 17572-77-9, 32363-55-6, 3420-52-8
(3E)-1,4-diphenylbut-3-en-1-one

: 23511-08-2, 23511-09-3, 120201-78-7
(+/-)-2c-phenyl-3t-benzoyl-cyclopropane-carboxylic acid-(1r)-methyl ester

: 23511-08-2, 23511-09-3, 120201-78-7
2c-benzoyl-3t-phenyl-cyclopropane-r-carboxylic acid methyl ester

Conditions

Conditions	Yield
(i) NaH, DMSO, (ii) /BRN= 102415/; Multistep reaction;

...Expand

: 503-74-2
3-methylbutyric acid

: 4727-41-7
dimethylsulfonioacetate

: 556-24-1
methyl 3-methylbutanoate

: 576-26-1
2.6-dimethylphenol

: 4727-41-7
dimethylsulfonioacetate

: 1004-66-6
2-methoxy-1,3-dimethylbenzene

: 527-60-6
Mesitol

: 4727-41-7
dimethylsulfonioacetate

: 4028-66-4
2,4,6-trimethylanisole

: 1570-65-6
4,6-dichloro-2-methylphenol

: 4727-41-7
dimethylsulfonioacetate

: 13334-73-1
2,4-dichloro-6-methyl-anisole

: 4727-41-7
dimethylsulfonioacetate

: 108-68-9
3,5-Dimethylphenol

: 874-63-5
3,5-dimethylmethoxybenzene

: 4727-41-7
dimethylsulfonioacetate

: 108-59-8
malonic acid dimethyl ester

: 609-02-9
methyl-malonic acid dimethylester

: 4727-41-7
dimethylsulfonioacetate

: 88-06-2
2,4,6-Trichlorophenol

: 87-40-1
2,4,6-trichloroanisole

: 4727-41-7
dimethylsulfonioacetate

: 4727-41-7, 55284-63-4
C4H8O2S(1-)

Conditions

Conditions	Yield
With e1-aq Rate constant; Ambient temperature;

: 4727-41-7
dimethylsulfonioacetate

: 7732-18-5
water

: 2444-37-3
methylsulfanyl-acetic acid

: 4727-41-7
dimethylsulfonioacetate

aqueous NaOH-solution: aqueous NaOH-solution

A: 79-14-1
glycolic Acid

B: 2444-37-3
methylsulfanyl-acetic acid

...Expand

Sulfobetaine Specification

The Sulfobetaine, with the CAS registry number 4727-41-7, has the systematic name of (dimethylsulfonio)acetate. It is also called 2-dimethylsulfonioacetate, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₄H₈O₂S.

The characteristics of Sulfobetaine are as followings: (1)XLogP3-AA 1.1 ; (2)H-Bond Donor 0 ; (3)H-Bond Acceptor 2; (4)Rotatable Bond Count 1; (5)Exact Mass 120.0245 ; (6)MonoIsotopic Mass 120.0245; (7)Topological Polar Surface Area 41.1; (8)Heavy Atom Count 7; (9)Formal Charge 0; (10)Complexity 64.6; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1; (17)Feature 3D Acceptor Count 2; (18)Feature 3D Anion Count 1.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)C[S+](C)C
(2)InChI: InChI=1/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3
(3)InChIKey: PSBDWGZCVUAZQS-UHFFFAOYAJ

Product Name

Sulfobetaine

Synthetic route

Sulfobetaine Specification

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