Home Carboxys potassium 4-butyl-1,3-thiazole-2-carboxylate

potassium 4-butyl-1,3-thiazole-2-carboxylate

CAS No.:
1240526-62-8
Catalog Number:
AG01A9QK
Molecular Formula:
C8H10KNO2S
Molecular Weight:
223.3338
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Product Description
Catalog Number:
AG01A9QK
Chemical Name:
potassium 4-butyl-1,3-thiazole-2-carboxylate
CAS Number:
1240526-62-8
Molecular Formula:
C8H10KNO2S
Molecular Weight:
223.3338
MDL Number:
MFCD16622194
IUPAC Name:
potassium;4-butyl-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C8H11NO2S.K/c1-2-3-4-6-5-12-7(9-6)8(10)11;/h5H,2-4H2,1H3,(H,10,11);/q;+1/p-1
InChI Key:
XLOZULQOWXYNRN-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nc(cs1)CCCC.[K+]
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.007g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.331g/mol
Monoisotopic Mass:
223.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties