Cas no 113366-61-3 (4-Thiazolecarboxylic acid, 5-ethyl-2-phenyl-)
113366-61-3 structure
Product Name:4-Thiazolecarboxylic acid, 5-ethyl-2-phenyl-
CAS No:113366-61-3
MF:C12H11NO2S
MW:233.286241769791
CID:1201409
PubChem ID:13835309
Update Time:2025-04-20
4-Thiazolecarboxylic acid, 5-ethyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxylic acid, 5-ethyl-2-phenyl-
- 5-ethyl-2-phenyl-4-Thiazolecarboxylic acid
- 5-ethyl-2-phenyl-thiazole-4-carboxylic acid
- QQDKFTRMFAKMBX-UHFFFAOYSA-N
- 113366-61-3
- 5-ethyl-2-phenyl-1,3-thiazole-4-carboxylic acid
- 5-ethyl-2-phenyl-1,3-thiazole4carboxylic acid
- SCHEMBL6602729
- DA-37388
-
- Inchi： 1S/C12H11NO2S/c1-2-9-10(12(14)15)13-11(16-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
- InChI Key： QQDKFTRMFAKMBX-UHFFFAOYSA-N
- SMILES： S1C(C2C=CC=CC=2)=NC(C(=O)O)=C1CC
Computed Properties
- Exact Mass: 233.05113
- Monoisotopic Mass: 233.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 253
- 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: 3.3
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 50.19
4-Thiazolecarboxylic acid, 5-ethyl-2-phenyl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
113366-61-3 (4-Thiazolecarboxylic acid, 5-ethyl-2-phenyl-) Related Products
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