Cas no 61291-90-5 (5-Thiazolecarboxylic acid, 2-(4-ethoxyphenyl)-4-methyl-, ethyl ester)
61291-90-5 structure
Product Name:5-Thiazolecarboxylic acid, 2-(4-ethoxyphenyl)-4-methyl-, ethyl ester
CAS No:61291-90-5
MF:C15H17NO3S
MW:291.365382909775
CID:485624
PubChem ID:12307245
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 2-(4-ethoxyphenyl)-4-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-(4-ethoxyphenyl)-4-methyl-, ethyl ester
- ethyl 2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
- AKOS008702439
- 61291-90-5
- DTXSID80486883
-
- Inchi： 1S/C15H17NO3S/c1-4-18-12-8-6-11(7-9-12)14-16-10(3)13(20-14)15(17)19-5-2/h6-9H,4-5H2,1-3H3
- InChI Key： WPVNAPDLNYNALO-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=C(C)N=C1C1C=CC(=CC=1)OCC
Computed Properties
- Exact Mass: 291.09301
- Monoisotopic Mass: 291.09291458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 318
- 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: 3.9
- Topological Polar Surface Area: 76.7?2
Experimental Properties
- PSA: 48.42
5-Thiazolecarboxylic acid, 2-(4-ethoxyphenyl)-4-methyl-, ethyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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