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Dl-Methionine Sulfone

CAT: 1299-RM-M201415-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M201415-01Size:10 mg
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CAS Number
820-10-0
Synonyms
2-amino-4- (methylsulfonyl) butanoic acid
Molecular Formula
C5H11NO4S
Molecular Weight
181.21
Target Alternative Name
Methionine
Product Name Synonym
2-amino-4- (methylsulfonyl) butanoic acid

Chemical Information

Butanoic acid, 2-amino-4-(methylsulfonyl)-

Methionine sulfone is a methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. It is a methionine derivative, a sulfone and a non-proteinogenic alpha-amino acid.

CAS Number820-10-0
PubChem CID69961
IUPAC Name2-amino-4-methylsulfonylbutanoic acid
Molecular FormulaC5H11NO4S
Molecular Weight181.21
XLogP-3.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity227
SMILES
CS(=O)(=O)CCC(C(=O)O)N
InChI
InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
UCUNFLYVYCGDHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butanoic acid, 2-amino-4-(methylsulfonyl)-
CAS: 820-10-0
CID: 69961
Formula: C5H11NO4S
MW: 181.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.21
XLogP3-3.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass181.04087901
Monoisotopic Mass181.04087901
Topological Polar Surface Area106 Ų
Heavy Atom Count11
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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M7530-01DL-Methionine Sulfone
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AR-M02577-01Methionine Sulfone
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sc-236508PTH-methionine sulfone
sc-294393ADL-Ethionine sulfone
sc-470773Fmoc-D-methionine sulfone
OR452087-01Boc-D-methionine sulfone
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