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Home > Imidazoles > 112903-36-3
112903-36-3 | 4(1H)-Quinolinone, 8-(1H-benzimidazol-2-ylthio)-
CAS No: 112903-36-3 Catalog No: AG007ROH MDL No:
Product Description
Catalog Number:
AG007ROH
Chemical Name:
4(1H)-Quinolinone, 8-(1H-benzimidazol-2-ylthio)-
CAS Number:
112903-36-3
Molecular Formula:
C16H11N3OS
Molecular Weight:
293.3430
IUPAC Name:
8-(1H-benzimidazol-2-ylsulfanyl)-1H-quinolin-4-one
InChI:
InChI=1S/C16H11N3OS/c20-13-8-9-17-15-10(13)4-3-7-14(15)21-16-18-11-5-1-2-6-12(11)19-16/h1-9H,(H,17,20)(H,18,19)
InChI Key:
KXXZJXYBSBJFHB-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2c1cccc2Sc1nc2c([nH]1)cccc2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.344g/mol
Monoisotopic Mass:
293.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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