Cas no 62591-28-0 (5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, ethyl ester)
62591-28-0 structure
Product Name:5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, ethyl ester
CAS No:62591-28-0
MF:C7H9ClN2O2S
MW:220.676559209824
CID:438943
PubChem ID:12308575
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, ethyl ester
- ethyl 2-amino-4-(chloromethyl)-1,3-thiazole-5-carboxylate
- DTXSID20487197
- 62591-28-0
-
- Inchi： 1S/C7H9ClN2O2S/c1-2-12-6(11)5-4(3-8)10-7(9)13-5/h2-3H2,1H3,(H2,9,10)
- InChI Key： KBXHVNRASJQBGF-UHFFFAOYSA-N
- SMILES： ClCC1=C(C(=O)OCC)SC(N)=N1
Computed Properties
- Exact Mass: 220.00747
- Monoisotopic Mass: 220.0073264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 1.6
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 65.21
5-Thiazolecarboxylic acid, 2-amino-4-(chloromethyl)-, ethyl ester Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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