Cas no 50896-98-5 (Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)-)
![Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)- structure](https://ossimg.kuujia.com/scimg/51000/50896-98-5x500.png)
50896-98-5 structure
Product Name:Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)-
CAS No:50896-98-5
MF:C5H11NO3S
MW:165.210740327835
CID:373126
PubChem ID:9577091
Update Time:2025-04-19
Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)-
- (S-(R*,S*))-2-Amino-4-(methylsulfinyl)butanoic acid
- Butanoicacid, 2-amino-4-(methylsulfinyl)-, [S-(R*,S*)]-
- D-Methionine-l-sulfoxide
- DTXSID80198919
- D-methionine (S)-S-oxide
- (2R)-2-amino-4-[(S)-methylsulfinyl]butanoic acid
- Q27121446
- d-methionine-S-sulfoxide
- SCHEMBL38627
- CHEBI:49036
- Butanoic acid, 2-amino-4-(methylsulfinyl)-, (S-(R*,S*))-
- 50896-98-5
-
- Inchi： 1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m1/s1
- InChI Key： QEFRNWWLZKMPFJ-KNODYTOMSA-N
- SMILES： [S@](C)(CC[C@H](C(=O)O)N)=O
Computed Properties
- Exact Mass: 165.045964
- Monoisotopic Mass: 165.045964
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 99.6
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Density: 1.385
- Boiling Point: 434.3°Cat760mmHg
- Flash Point: 216.4°C
Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
50896-98-5 (Butanoic acid,2-amino-4-[(S)-methylsulfinyl]-, (2R)-) Related Products
- 454-41-1(H-DL-MET(O)-OH)
- 4241-59-2((2S)-2-Amino-4-(methylsulfinyl)butanoic acid)
- 820-10-0(DL-Methionine sulfone)
- 62697-73-8(Methionine sulfoxide)
- 41486-92-4(H-D-Met(O2)-OH)
- 7314-32-1(L-Methionine Sulfone)
- 1118-85-0(Butanoic acid, 2-amino-4-(methylsulfonyl)-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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