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183547-88-8 | 3H-Imidazo[4,5-b]pyridine-2-carbothioamide, 6-bromo-N-phenyl-
CAS No: 183547-88-8 Catalog No: AG0027O6 MDL No:
Product Description
Catalog Number:
AG0027O6
Chemical Name:
3H-Imidazo[4,5-b]pyridine-2-carbothioamide, 6-bromo-N-phenyl-
CAS Number:
183547-88-8
Molecular Formula:
C13H9BrN4S
Molecular Weight:
333.2064
IUPAC Name:
6-bromo-N-phenyl-1H-imidazo[4,5-b]pyridine-2-carbothioamide
InChI:
InChI=1S/C13H9BrN4S/c14-8-6-10-11(15-7-8)18-12(17-10)13(19)16-9-4-2-1-3-5-9/h1-7H,(H,16,19)(H,15,17,18)
InChI Key:
YGOJAGCXUIHMGZ-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)nc([nH]2)C(=S)Nc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.973g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.207g/mol
Monoisotopic Mass:
331.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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