Home Carboxys 5-methyl-3-phenyl-1,2-thiazole-4-carboxylic acid

5-methyl-3-phenyl-1,2-thiazole-4-carboxylic acid

CAS No.:
13950-59-9
Catalog Number:
AG01C215
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
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Product Description
Catalog Number:
AG01C215
Chemical Name:
5-methyl-3-phenyl-1,2-thiazole-4-carboxylic acid
CAS Number:
13950-59-9
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD24479705
IUPAC Name:
5-methyl-3-phenyl-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key:
SPWQXRJUDZAQII-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)snc1c1ccccc1
Properties
Complexity:
241  
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:
2.6  
Properties