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102311-94-4

102311-94-4 | Quinoline, 8,8'-[1,3-propanediylbis(thio)]bis- (9CI)

CAS No: 102311-94-4 Catalog No: AG000772 MDL No:

Product Description

Catalog Number:
AG000772
Chemical Name:
Quinoline, 8,8'-[1,3-propanediylbis(thio)]bis- (9CI)
CAS Number:
102311-94-4
Molecular Formula:
C21H18N2S2
Molecular Weight:
362.5110
IUPAC Name:
8-(3-quinolin-8-ylsulfanylpropylsulfanyl)quinoline
InChI:
InChI=1S/C21H18N2S2/c1-6-16-8-3-12-22-20(16)18(10-1)24-14-5-15-25-19-11-2-7-17-9-4-13-23-21(17)19/h1-4,6-13H,5,14-15H2
InChI Key:
NKWSJKAXOHHVOU-UHFFFAOYSA-N
SMILES:
C(CSc1cccc2c1nccc2)CSc1cccc2c1nccc2

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.091g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.509g/mol
Monoisotopic Mass:
362.091g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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