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139257-47-9 | Quinoline, 8,8'-thiobis- (9CI)
CAS No: 139257-47-9 Catalog No: AG001AKR MDL No:
Product Description
Catalog Number:
AG001AKR
Chemical Name:
Quinoline, 8,8'-thiobis- (9CI)
CAS Number:
139257-47-9
Molecular Formula:
C18H12N2S
Molecular Weight:
288.3663
IUPAC Name:
8-quinolin-8-ylsulfanylquinoline
InChI:
InChI=1S/C18H12N2S/c1-5-13-7-3-11-19-17(13)15(9-1)21-16-10-2-6-14-8-4-12-20-18(14)16/h1-12H
InChI Key:
LYKCMTPGARJQCI-UHFFFAOYSA-N
SMILES:
c1ccc2c(n1)c(ccc2)Sc1cccc2c1nccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.368g/mol
Monoisotopic Mass:
288.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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