Cas no 94021-41-7 (4-Thiazoleethanol,5-methyl-, 4-acetate)
94021-41-7 structure
Product Name:4-Thiazoleethanol,5-methyl-, 4-acetate
CAS No:94021-41-7
MF:C8H11NO2S
MW:185.24344086647
CID:809607
PubChem ID:539363
Update Time:2025-04-19
4-Thiazoleethanol,5-methyl-, 4-acetate Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleethanol,5-methyl-, 4-acetate
- 2-(5-methyl-1,3-thiazol-4-yl)ethyl acetate
- 2-(5-methylthiazol-4-yl)ethyl acetate
- 2-(5-Methyl-1,3-thiazol-4-yl)ethyl acetate #
- EINECS 301-436-7
- HRVQAYSAODWHDV-UHFFFAOYSA-N
- 94021-41-7
- DTXSID00240242
- NS00039896
-
- Inchi： 1S/C8H11NO2S/c1-6-8(9-5-12-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
- InChI Key： HRVQAYSAODWHDV-UHFFFAOYSA-N
- SMILES： S1C=NC(=C1C)CCOC(C)=O
Computed Properties
- Exact Mass: 185.051049
- Monoisotopic Mass: 185.051049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- 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
- Topological Polar Surface Area: 67.4
- XLogP3: 1.5
Experimental Properties
- Density: 1.174
- Boiling Point: 275.2°C at 760 mmHg
- Flash Point: 120.3°C
- Refractive Index: 1.522
4-Thiazoleethanol,5-methyl-, 4-acetate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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