Cas no 94021-42-8 (Propanoic acid,2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester)
94021-42-8 structure
Product Name:Propanoic acid,2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester
CAS No:94021-42-8
MF:C10H15NO2S
MW:213.29660153389
CID:803783
PubChem ID:3023273
Update Time:2025-04-19
Propanoic acid,2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester
- 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate
- 4-METHYL-5-THIAZOLEETHANOL ISOBUTYRATE
- SCHEMBL3505544
- Q27280858
- 94021-42-8
- UNII-IQX01OU9UR
- 2-(5-methylthiazol-4-yl)ethylisobutyrate
- DTXSID80869172
- Propanoic acid, 2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester
- AKOS015951105
- 2-(5-Methyl-4-thiazolyl)ethyl isobutyrate
- IQX01OU9UR
- EINECS 301-437-2
- NS00065005
- 2-(5-Methylthiazol-4-yl)ethyl isobutyrate
-
- Inchi： 1S/C10H15NO2S/c1-7(2)10(12)13-5-4-9-8(3)14-6-11-9/h6-7H,4-5H2,1-3H3
- InChI Key： KMEDDQQKAPHCLF-UHFFFAOYSA-N
- SMILES： S1C=NC(=C1C)CCOC(C(C)C)=O
Computed Properties
- Exact Mass: 213.08234989g/mol
- Monoisotopic Mass: 213.08234989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 197
- 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: 2.6
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- Density: 1.116
Propanoic acid,2-methyl-, 2-(5-methyl-4-thiazolyl)ethyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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