Cas no 7536-72-3 ((2S)-2-amino-4-methylsulfinylbutanamide)
7536-72-3 structure
Product Name:(2S)-2-amino-4-methylsulfinylbutanamide
CAS No:7536-72-3
MF:C5H12N2O2S
MW:164.225979804993
CID:2841971
PubChem ID:22815434
Update Time:2025-04-21
(2S)-2-amino-4-methylsulfinylbutanamide Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-amino-4-methylsulfinylbutanamide
- Butanamide,2-amino-4-(methylsulfinyl)-,(S);
- DTXSID90628419
- SCHEMBL11101986
- (2S)-2-Amino-4-(methanesulfinyl)butanamide
- 7536-72-3
-
- Inchi： 1S/C5H12N2O2S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-,10?/m0/s1
- InChI Key： XZNDEVAEXYVPLG-YGVKFDHGSA-N
- SMILES： S(C)(CC[C@@H](C(N)=O)N)=O
Computed Properties
- Exact Mass: 164.06200
- Monoisotopic Mass: 164.06194880Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 106.38000
- LogP: 1.28330
(2S)-2-amino-4-methylsulfinylbutanamide Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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