Cas no 88469-73-2 (5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-, ethyl ester)
88469-73-2 structure
Product Name:5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-, ethyl ester
CAS No:88469-73-2
MF:C13H11NO3S
MW:261.296342134476
CID:631528
PubChem ID:13114381
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-, ethyl ester
- ethyl 4-formyl-2-phenyl-1,3-thiazole-5-carboxylate
- DTXSID00519001
- 88469-73-2
-
- Inchi： 1S/C13H11NO3S/c1-2-17-13(16)11-10(8-15)14-12(18-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
- InChI Key： MBHYHGPAOCJFFQ-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=C(C=O)N=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 261.04596439g/mol
- Monoisotopic Mass: 261.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 305
- 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
- Topological Polar Surface Area: 84.5?2
5-Thiazolecarboxylic acid, 4-formyl-2-phenyl-, ethyl ester Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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