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L-Methionine sulfoxide

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Name

L-Methionine sulfoxide

EINECS 221-758-0
CAS No. 3226-65-1 Density 1.385 g/cm3
PSA 99.60000 LogP 0.73290
Solubility N/A Melting Point 234-235 °C
Formula C5H11NO3S Boiling Point 434.3 °C at 760 mmHg
Molecular Weight 165.213 Flash Point 216.4 °C
Transport Information N/A Appearance White crystalline solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3226-65-1 (L-Methionine sulfoxide) Hazard Symbols N/A
Synonyms

Butanoicacid, 2-amino-4-(methylsulfinyl)-, (2S)- (9CI);Butyric acid,2-amino-4-(methylsulfinyl)-, L- (8CI);L-Methionine, S-oxide;Methioninesulfoxide;

Article Data 82

L-Methionine sulfoxide Specification

The CAS register number of L-Methionine sulfoxide is 3226-65-1. It also can be called as L-2-Amino-4-(methylsulfinyl)butanoic acid and the IUPAC name about this chemical is 2-amino-4-methylsulfinylbutanoic acid. The molecular formula about this chemical is C5H11NO3S and the molecular weight is 165.21. It belongs to the following product categories which include Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives and so on. This chemical can be used as an intermediate in the synthesis of the acyclic amino carboxylic acid L-Methionine sulfoximine.

Physical properties about L-Methionine sulfoxide are: (1)ACD/LogP: -1.62; (2)ACD/LogD (pH 5.5): -4.12; (3)ACD/LogD (pH 7.4): -4.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 65.82Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 39.13 cm3; (14)Molar Volume: 119.2 cm3; (15)Polarizability: 15.51x10-24cm3; (16)Surface Tension: 74.3 dyne/cm; (17)Flash Point: 216.4 °C; (18)Enthalpy of Vaporization: 75.7 kJ/mol; (19)Boiling Point: 434.3 °C at 760 mmHg; (20)Vapour Pressure: 9.33E-09 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CCS(=O)C
(2)InChI: InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
(3)InChIKey: QEFRNWWLZKMPFJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
(5)Std. InChIKey: QEFRNWWLZKMPFJ-UHFFFAOYSA-N

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