Home Carboxys 2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
17228-99-8
Catalog Number:
AG007D5B
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
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Product Description
Catalog Number:
AG007D5B
Chemical Name:
2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
17228-99-8
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD01936002
IUPAC Name:
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
MTVWIZYQYPRZGZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1scc(n1)C(=O)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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