Cas no 62557-42-0 (4-Thiazoleacetic acid, 2-[(aminocarbonyl)amino]-, ethyl ester)
![4-Thiazoleacetic acid, 2-[(aminocarbonyl)amino]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/63000/62557-42-0x500.png)
62557-42-0 structure
Product Name:4-Thiazoleacetic acid, 2-[(aminocarbonyl)amino]-, ethyl ester
CAS No:62557-42-0
MF:C8H11N3O3S
MW:229.256240129471
CID:440295
PubChem ID:20288653
Update Time:2025-04-19
4-Thiazoleacetic acid, 2-[(aminocarbonyl)amino]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleacetic acid, 2-[(aminocarbonyl)amino]-, ethyl ester
- ethyl 2-[2-(carbamoylamino)-1,3-thiazol-4-yl]acetate
- SCHEMBL11368738
- LLDJUEPXEKNSFA-UHFFFAOYSA-N
- AKOS009146151
- Ethyl [2-(carbamoylamino)-1,3-thiazol-4-yl]acetate
- ethyl 2-ureidothiazol-4-ylacetate
- 62557-42-0
- DTXSID60604684
-
- Inchi： 1S/C8H11N3O3S/c1-2-14-6(12)3-5-4-15-8(10-5)11-7(9)13/h4H,2-3H2,1H3,(H3,9,10,11,13)
- InChI Key： LLDJUEPXEKNSFA-UHFFFAOYSA-N
- SMILES： S1C(NC(N)=O)=NC(=C1)CC(=O)OCC
Computed Properties
- Exact Mass: 229.05223
- Monoisotopic Mass: 229.05211239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 123?2
Experimental Properties
- PSA: 94.31
4-Thiazoleacetic acid, 2-[(aminocarbonyl)amino]-, ethyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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