Home Carboxys pyrazolo[3,2-b][1,3]thiazole-7-carboxylic acid

pyrazolo[3,2-b][1,3]thiazole-7-carboxylic acid

CAS No.:
1510356-99-6
Catalog Number:
AG01C2V8
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
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Product Description
Catalog Number:
AG01C2V8
Chemical Name:
pyrazolo[3,2-b][1,3]thiazole-7-carboxylic acid
CAS Number:
1510356-99-6
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD22395271
IUPAC Name:
pyrazolo[5,1-b][1,3]thiazole-7-carboxylic acid
InChI:
InChI=1S/C6H4N2O2S/c9-6(10)4-3-7-8-1-2-11-5(4)8/h1-3H,(H,9,10)
InChI Key:
WJJBHMAIAOLPRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1scc2
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties