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Home Carboxys 5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester

5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester

CAS No.:
53715-64-3
Catalog Number:
AG00I9L1
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
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Product Description
Catalog Number:
AG00I9L1
Chemical Name:
5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-, ethyl ester
CAS Number:
53715-64-3
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD00141953
IUPAC Name:
ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
FYPLITQTMHJFKK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)c1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties