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

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Name

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

EINECS 244-566-9
CAS No. 15985-39-4 Density 1.46 g/cm3
PSA 112.62000 LogP 1.13070
Solubility N/A 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 N/A Appearance White Crystalline Powder
Safety 26/36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 15985-39-4 (L-METHIONINE SULFOXIMINE) Hazard Symbols IrritantXi
Synonyms

(2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid;L-Methionine (SR)-sulfoximine;L-Methionine-DL-sulfoximine;

Article Data 3

Butanoic acid,2-amino-4-(S-methylsulfonimidoyl)-, (2S)- Synthetic route

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

15985-39-4

L-methionine sulfoximine

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

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

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