Home Carboxys ethyl 1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylate

ethyl 1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:
1461714-18-0
Catalog Number:
AG01A6RB
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
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Product Description
Catalog Number:
AG01A6RB
Chemical Name:
ethyl 1-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylate
CAS Number:
1461714-18-0
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD24119657
IUPAC Name:
ethyl 1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
InChI:
InChI=1S/C9H9N3O2S/c1-2-14-8(13)7-5-11-12(6-7)9-10-3-4-15-9/h3-6H,2H2,1H3
InChI Key:
HETYQFWUSWXFSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1nccs1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties