Cas no 122174-26-9 (2-Amino-3-(4-mercapto-1-methyl-1H-imidazol-5-yl)propanoic acid)
122174-26-9 structure
Product Name:2-Amino-3-(4-mercapto-1-methyl-1H-imidazol-5-yl)propanoic acid
CAS No:122174-26-9
MF:C7H11N3O2S
MW:201.246139764786
CID:2897901
PubChem ID:9794226
Update Time:2025-04-21
2-Amino-3-(4-mercapto-1-methyl-1H-imidazol-5-yl)propanoic acid Chemical and Physical Properties
Names and Identifiers
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- 122174-26-9
- 2-Amino-3-(4-mercapto-1-methyl-1H-imidazol-5-yl)propanoic acid
- SCHEMBL13201930
-
- Inchi： 1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)
- InChI Key： XWKKYVJREGXHFO-UHFFFAOYSA-N
- SMILES： SC1=C(CC(C(=O)O)N)N(C)C=N1
Computed Properties
- Exact Mass: 201.05719778g/mol
- Monoisotopic Mass: 201.05719778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.8
- Topological Polar Surface Area: 82.1?2
2-Amino-3-(4-mercapto-1-methyl-1H-imidazol-5-yl)propanoic acid Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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