Cas no 59936-89-9 (4-Thiazolecarboxylic acid, 2-butyl-, ethyl ester)
59936-89-9 structure
Product Name:4-Thiazolecarboxylic acid, 2-butyl-, ethyl ester
CAS No:59936-89-9
MF:C10H15NO2S
MW:213.29660153389
CID:336755
PubChem ID:67292599
Update Time:2025-04-19
4-Thiazolecarboxylic acid, 2-butyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxylic acid, 2-butyl-, ethyl ester
- ethyl 2-butyl-1,3-thiazole-4-carboxylate
- DTXSID10736787
- ICAKJYYIQMLRRD-UHFFFAOYSA-N
- ethyl 2-butylthiazole-4-carboxylate
- 59936-89-9
- SCHEMBL2142396
-
- Inchi： 1S/C10H15NO2S/c1-3-5-6-9-11-8(7-14-9)10(12)13-4-2/h7H,3-6H2,1-2H3
- InChI Key： ICAKJYYIQMLRRD-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)OCC)N=C1CCCC
Computed Properties
- Exact Mass: 213.08245
- 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: 6
- Complexity: 187
- 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: 3.2
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- PSA: 39.19
4-Thiazolecarboxylic acid, 2-butyl-, ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
59936-89-9 (4-Thiazolecarboxylic acid, 2-butyl-, ethyl ester) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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