Cas no 113737-61-4 (Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]-)
![Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/114000/113737-61-4x500.png)
113737-61-4 structure
Product Name:Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]-
CAS No:113737-61-4
MF:C11H15NO4S
MW:257.30610203743
CID:214803
PubChem ID:195031
Update Time:2025-04-19
Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]-
- S-benzyl-alpha-methylcysteine sulfone
- (2R)-2-amino-3-(benzylsulfonyl)-2-methylpropanoic acid
- SBMCS
- DTXSID60921181
- SCHEMBL7210887
- 113737-61-4
- (2R)-2-amino-3-benzylsulfonyl-2-methylpropanoic acid
- 2-Amino-2-methyl-3-(phenylmethanesulfonyl)propanoic acid
-
- Inchi： 1S/C11H15NO4S/c1-11(12,10(13)14)8-17(15,16)7-9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3,(H,13,14)/t11-/m0/s1
- InChI Key： BYMBWHMDXNABPE-NSHDSACASA-N
- SMILES： S(CC1C=CC=CC=1)(C[C@](C(=O)O)(C)N)(=O)=O
Computed Properties
- Exact Mass: 257.07225
- Monoisotopic Mass: 257.07217913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 367
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 97.46
Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
113737-61-4 (Alanine,2-methyl-3-[(phenylmethyl)sulfonyl]-) Related Products
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