Cas no 71929-24-3 (4-Thiazoleacetic acid,5-(2-hydroxyethyl)-, methyl ester)
71929-24-3 structure
Product Name:4-Thiazoleacetic acid,5-(2-hydroxyethyl)-, methyl ester
CAS No:71929-24-3
MF:C8H11NO3S
MW:201.242841005325
CID:568707
PubChem ID:20846330
Update Time:2025-04-19
4-Thiazoleacetic acid,5-(2-hydroxyethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleacetic acid,5-(2-hydroxyethyl)-, methyl ester
- methyl 2-[5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
- methyl 5-(2-hydroxyethyl)thiazol-4-acetate
- [5-(2-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]acetate
- 71929-24-3
- NS00062122
- DTXSID30222213
- EINECS 276-196-9
-
- Inchi： 1S/C8H11NO3S/c1-12-8(11)4-6-7(2-3-10)13-5-9-6/h5,10H,2-4H2,1H3
- InChI Key： UBLOSGXPWGPXLC-UHFFFAOYSA-N
- SMILES： S1C=NC(CC(=O)OC)=C1CCO
Computed Properties
- Exact Mass: 201.04603
- Monoisotopic Mass: 201.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 177
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.4
- Topological Polar Surface Area: 87.7?2
Experimental Properties
- PSA: 59.42
4-Thiazoleacetic acid,5-(2-hydroxyethyl)-, methyl ester Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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