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102244-03-1 | Quinazoline, 4-(2-quinolinylthio)-
CAS No: 102244-03-1 Catalog No: AG0006ZW MDL No:
Product Description
Catalog Number:
AG0006ZW
Chemical Name:
Quinazoline, 4-(2-quinolinylthio)-
CAS Number:
102244-03-1
Molecular Formula:
C17H11N3S
Molecular Weight:
289.3543
IUPAC Name:
4-quinolin-2-ylsulfanylquinazoline
InChI:
InChI=1S/C17H11N3S/c1-3-7-14-12(5-1)9-10-16(20-14)21-17-13-6-2-4-8-15(13)18-11-19-17/h1-11H
InChI Key:
LPTXLLHXJSYYFB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)Sc1ncnc2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.356g/mol
Monoisotopic Mass:
289.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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