Cas no 127708-41-2 (Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel-)
![Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel- structure](https://ossimg.kuujia.com/scimg/128000/127708-41-2x500.png)
127708-41-2 structure
Product Name:Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel-
CAS No:127708-41-2
MF:C8H18N2O3S
MW:222.305120944977
CID:201558
PubChem ID:25040331
Update Time:2025-04-19
Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel-
- (2S)-2-amino-4-[[(2S)-butan-2-yl]sulfonimidoyl]butanoic acid
- dl-buthionine sulfoximine
- 127708-41-2
- DTXSID90155634
-
- Inchi： 1S/C8H18N2O3S/c1-3-6(2)14(10,13)5-4-7(9)8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)/t6-,7-,14+/m0/s1
- InChI Key： VUMWXROTBGPMMX-SLQXFBPESA-N
- SMILES： [S@@](CC[C@@H](C(=O)O)N)([C@@H](C)CC)(=N)=O
Computed Properties
- Exact Mass: 222.10394
- Monoisotopic Mass: 222.103813
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113
- XLogP3: -1
Experimental Properties
- Density: 1.3
- Boiling Point: 375.3°Cat760mmHg
- Flash Point: 180.7°C
- Refractive Index: 1.538
- PSA: 104.24
Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
127708-41-2 (Butanoic acid,2-amino-4-[[S(R)]-S-butylsulfonimidoyl]-, (2S)-rel-) Related Products
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