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96124-77-5 | 7H-Imidazo[4,5-b]pyridin-7-one, 1,4,5,6-tetrahydro-5-thioxo-
CAS No: 96124-77-5 Catalog No: AG0068MS MDL No:
Product Description
Catalog Number:
AG0068MS
Chemical Name:
7H-Imidazo[4,5-b]pyridin-7-one, 1,4,5,6-tetrahydro-5-thioxo-
CAS Number:
96124-77-5
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
IUPAC Name:
5-sulfanylidene-1,4-dihydroimidazo[4,5-b]pyridin-7-one
InChI:
InChI=1S/C6H5N3OS/c10-3-1-4(11)9-6-5(3)7-2-8-6/h2H,1H2,(H,7,8)(H,9,11)
InChI Key:
ZLCCCYYHUMJZGM-UHFFFAOYSA-N
SMILES:
C1C(=O)c2c(NC1=S)nc[nH]2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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