(±)-Methionine sulfone

C₅H₁₁NO₄SCAS 820-10-0181.21 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Primary Amine Sulfone

Properties

Molecular formula: C₅H₁₁NO₄S
Molar mass: 181.21 g/mol
Exact mass: 181.0409 Da
Melting point: 254 °C (decomposes)
logP: -1.17Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Identifiers

CAS number

820-10-0

SMILES

CS(=O)(=O)CCC(N)C(=O)O

InChIKey

UCUNFLYVYCGDHP-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Methionine, S,S-dioxide
Butyric acid, 2-amino-4-(methylsulfonyl)-, DL-
Butanoic acid, 2-amino-4-(methylsulfonyl)-
DL-Methionine sulfone
DL-Methionine S,S-dioxide
Methionine sulfone
NSC 62968
2-Amino-4-(methylsulfonyl)butanoic acid
2-Amino-4-methanesulfonylbutanoic acid

Work with (±)-Methionine sulfone

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

L-Methionine sulfone7314-32-1

Elsewhere

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