Home Carboxys 4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid

CAS No.:
54001-15-9
Catalog Number:
AG00J5TD
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
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Product Description
Catalog Number:
AG00J5TD
Chemical Name:
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CAS Number:
54001-15-9
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD11204939
IUPAC Name:
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H11NO2S/c1-7-5-3-4-6-9(7)11-13-8(2)10(16-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChI Key:
OFTVPKQWPZKNMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)c1ccccc1C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties