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89374-21-0 | 3-Pyridinecarboxamide, N-(aminothioxomethyl)-2-chloro-
CAS No: 89374-21-0 Catalog No: AG003WNG MDL No:
Product Description
Catalog Number:
AG003WNG
Chemical Name:
3-Pyridinecarboxamide, N-(aminothioxomethyl)-2-chloro-
CAS Number:
89374-21-0
Molecular Formula:
C7H6ClN3OS
Molecular Weight:
215.6600
IUPAC Name:
N-carbamothioyl-2-chloropyridine-3-carboxamide
InChI:
InChI=1S/C7H6ClN3OS/c8-5-4(2-1-3-10-5)6(12)11-7(9)13/h1-3H,(H3,9,11,12,13)
InChI Key:
XIKTWQMSGLOFIM-UHFFFAOYSA-N
SMILES:
NC(=S)NC(=O)c1cccnc1Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.655g/mol
Monoisotopic Mass:
214.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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