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Home > Imidazoles > 113713-60-3
113713-60-3 | 2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy-
CAS No: 113713-60-3 Catalog No: AG0009FV MDL No:MFCD06658230
Product Description
Catalog Number:
AG0009FV
Chemical Name:
2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy-
CAS Number:
113713-60-3
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
MDL Number:
MFCD06658230
IUPAC Name:
5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
InChI:
InChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12)
InChI Key:
PNYFSMIUARCIRR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)[nH]c(=S)[nH]2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of splitomicin analogs targeted at human NAD(+)-dependent histone deacetylases (sirtuins). | Bioorganic & medicinal chemistry 20110615 |
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