Butanoic acid,2-amino-4-(S-methylsulfonimidoyl)-, (2S)- supplier

Name
L-METHIONINE SULFOXIMINE
EINECS 244-566-9
CAS No. 15985-39-4
Article Data3
CAS DataBase
Density 1.46 g/cm³
Solubility
Melting Point >210oC (dec.)(lit.)
Formula C₅H₁₂N₂O₃S
Boiling Point 352.2 °C at 760 mmHg
Molecular Weight 180.228
Flash Point 166.8 °C
Transport Information
Appearance White Crystalline Powder
Safety 26/36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid;L-Methionine (SR)-sulfoximine;L-Methionine-DL-sulfoximine;
PSA 112.62000
LogP 1.13070

Synthetic route

: tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-4-[N-(tert-butoxycarbonyl)-S-methylsulfonimidoyl]-butanoate

: 15985-39-4
L-methionine sulfoximine

Conditions

Conditions	Yield
With hydrogenchloride; water at 80℃; for 3h;	66%
With hydrogenchloride at 80℃; for 3h;	66%

: 15985-39-4
L-methionine sulfoximine

A: 21752-31-8
2(S)-methionine S(R)-sulfoximine

B: 21752-32-9
2(S)-methionine S(S)-sulfoximine

: 15985-39-4
L-methionine sulfoximine

: 60-24-2
2-hydroxyethanethiol

: 643-79-8
o-phthalic dicarboxaldehyde

: C15H20N2O4S2

Conditions

Conditions	Yield
With hydrogenchloride; boric acid; sodium hydroxide In water at 25℃; for 0.0333333h; pH=9.2;

...Expand

Butanoic acid,2-amino-4-(S-methylsulfonimidoyl)-, (2S)- Specification

The Butanoic acid,2-amino-4-(S-methylsulfonimidoyl)-, (2S)-, with its CAS registry number 15985-39-4, has its systematic name of (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid. With its molecular formula of C₅H₁₂N₂O₃S and molecular weight of 180.23, it belongs to the product categories of Amino Acids & Derivatives. Besides, it is a kind of white crystalline powder.

Physical properties of Butanoic acid,2-amino-4-(S-methylsulfonimidoyl)-, (2S)-: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 67.35 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 39.83 cm³; (9)Molar Volume: 123.2 cm³; (10)Polarizability: 15.79×10^-24cm³; (11)Surface Tension: 58.6 dyne/cm; (12)Density: 1.46 g/cm³; (13)Flash Point: 166.8 °C; (14)Enthalpy of Vaporization: 65.59 kJ/mol; (15)Boiling Point: 352.2 °C at 760 mmHg ; (16)Vapour Pressure: 6.63E-06 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. This chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=N)(C)CC[C@@H](C(=O)O)N
(2)InChI:InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1
(3)InChIKey:SXTAYKAGBXMACB-DPVSGNNYBI

Product Name

L-METHIONINE SULFOXIMINE

Synthetic route

Butanoic acid,2-amino-4-(S-methylsulfonimidoyl)-, (2S)- Specification

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