(±)-Methionine sulfone

C5H11NO4SCAS 820-10-0181.21 g/mol

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SOONH2OOH
Carboxylic acidPrimary amineSulfone

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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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)

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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 Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Methionine sulfone7314-32-1Defined stereoisomer

Similar compounds

Methionine sulfoximine15985-39-464 % similar (±)-Homocysteic acid504-33-662 % similar Buthionine sulfoximine5072-26-456 % similar Diaminopimelic acid583-93-755 % similar D-Norvaline2013-12-955 % similar Norvaline6600-40-455 % similar (±)-Norvaline760-78-155 % similar L-2,4-Diaminobutyric acid1758-80-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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