Home Carboxys 4-Thiazolecarboxylicacid,2-ethyl-(9CI)

4-Thiazolecarboxylicacid,2-ethyl-(9CI)

CAS No.:
769124-05-2
Catalog Number:
AG00G607
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
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Product Description
Catalog Number:
AG00G607
Chemical Name:
4-Thiazolecarboxylicacid,2-ethyl-(9CI)
CAS Number:
769124-05-2
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD09258842
IUPAC Name:
2-ethyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C6H7NO2S/c1-2-5-7-4(3-10-5)6(8)9/h3H,2H2,1H3,(H,8,9)
InChI Key:
NMBMFJUWTJAVBG-UHFFFAOYSA-N
SMILES:
CCc1scc(n1)C(=O)O
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties