Cas no 62591-30-4 (5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, methyl ester)
![5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, methyl ester structure](https://ossimg.kuujia.com/scimg/63000/62591-30-4x500.png)
62591-30-4 structure
Product Name:5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, methyl ester
CAS No:62591-30-4
MF:C8H10N2O4S
MW:230.241000652313
CID:438941
PubChem ID:12308582
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, methyl ester
- methyl 4-(acetyloxymethyl)-2-amino-1,3-thiazole-5-carboxylate
- 62591-30-4
- DTXSID40487199
-
- Inchi： 1S/C8H10N2O4S/c1-4(11)14-3-5-6(7(12)13-2)15-8(9)10-5/h3H2,1-2H3,(H2,9,10)
- InChI Key： MYZBLJREPULHHG-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(=C1C(=O)OC)COC(C)=O
Computed Properties
- Exact Mass: 230.0362
- Monoisotopic Mass: 230.03612798g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 261
- 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: 0.5
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 91.51
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, methyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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