Home Carboxys 2-Benzyl-4-methylthiazole-5-carboxylic acid

2-Benzyl-4-methylthiazole-5-carboxylic acid

CAS No.:
876715-98-9
Catalog Number:
AG004O06
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
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Product Description
Catalog Number:
AG004O06
Chemical Name:
2-Benzyl-4-methylthiazole-5-carboxylic acid
CAS Number:
876715-98-9
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD07643224
IUPAC Name:
2-benzyl-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H11NO2S/c1-8-11(12(14)15)16-10(13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
SGWCGSNQYPEXBO-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)Cc1ccccc1
Properties
Complexity:
253  
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:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties