Cas no 111946-69-1 (4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester)
![4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/112000/111946-69-1x500.png)
111946-69-1 structure
Product Name:4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester
CAS No:111946-69-1
MF:C8H11NO3S
MW:201.242841005325
CID:129473
PubChem ID:45117617
Update Time:2025-04-19
4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester
- 4-Thiazolecarboxylicacid,2-(1-hydroxyethyl)-,ethylester,(S)-(9CI)
- (S)-1-Boc-3-piperidine acetate ethyl ester
- ethyl (S)-(1-tert-butoxycarbonylpiperidin-3-yl)acetate
- Ethyl (S)-2-(1-hydroxyethyl)-thiazole-4-carboxylate
- PubChem11418
- SureCN792648
- 111946-69-1
- (S)-ethyl 2-(1-hydroxyethyl)thiazole-4-carboxylate
- 4-thiazolecarboxylic acid,2-(1-hydroxyethyl)-,ethyl ester,(s)-
- ethyl 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylate
-
- Inchi： 1S/C8H11NO3S/c1-3-12-8(11)6-4-13-7(9-6)5(2)10/h4-5,10H,3H2,1-2H3/t5-/m0/s1
- InChI Key： YGMYQJINQIYLLW-YFKPBYRVSA-N
- SMILES： S1C=C(C(=O)OCC)N=C1[C@H](C)O
Computed Properties
- Exact Mass: 201.04600
- Monoisotopic Mass: 201.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 188
- 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
- Topological Polar Surface Area: 87.7A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 87.66000
- LogP: 1.37310
4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
111946-69-1 (4-Thiazolecarboxylicacid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester) Related Products
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