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89401-65-0 | 4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)-
CAS No: 89401-65-0 Catalog No: AG004NEA MDL No:
Product Description
Catalog Number:
AG004NEA
Chemical Name:
4-Thiazolecarboxamide, 2-(1-oxido-4-pyridinyl)-
CAS Number:
89401-65-0
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
IUPAC Name:
2-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C9H7N3O2S/c10-8(13)7-5-15-9(11-7)6-1-3-12(14)4-2-6/h1-5H,(H2,10,13)
InChI Key:
FRIFSRGXUFDKLD-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)c1scc(n1)C(=O)N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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