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14095-26-2 | Quinoline, 4,4'-thiobis-
CAS No: 14095-26-2 Catalog No: AG001FOJ MDL No:
Product Description
Catalog Number:
AG001FOJ
Chemical Name:
Quinoline, 4,4'-thiobis-
CAS Number:
14095-26-2
Molecular Formula:
C18H12N2S
Molecular Weight:
288.3663
IUPAC Name:
4-quinolin-4-ylsulfanylquinoline
InChI:
InChI=1S/C18H12N2S/c1-3-7-15-13(5-1)17(9-11-19-15)21-18-10-12-20-16-8-4-2-6-14(16)18/h1-12H
InChI Key:
BWYDHBPTLQNHFN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccn2)Sc1ccnc2c1cccc2
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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