Home Carboxys 2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxylic acid

2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1035235-01-8
Catalog Number:
AG01AHM4
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
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Product Description
Catalog Number:
AG01AHM4
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1035235-01-8
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
MDL Number:
MFCD11208453
IUPAC Name:
2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O2S/c1-11-4-5(2-10-11)7-9-3-6(14-7)8(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
RPZCAXYQGBHIEY-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ncc(s1)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:
209.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.223g/mol
Monoisotopic Mass:
209.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties