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71314-97-1

71314-97-1 | 8-(2-(PHENYLTHIO)ETHYLTHIO)QUINOLINE

CAS No: 71314-97-1 Catalog No: AG0069GH MDL No:

Product Description

Catalog Number:
AG0069GH
Chemical Name:
8-(2-(PHENYLTHIO)ETHYLTHIO)QUINOLINE
CAS Number:
71314-97-1
Molecular Formula:
C17H15NS2
Molecular Weight:
297.4377
IUPAC Name:
8-(2-phenylsulfanylethylsulfanyl)quinoline
InChI:
InChI=1S/C17H15NS2/c1-2-8-15(9-3-1)19-12-13-20-16-10-4-6-14-7-5-11-18-17(14)16/h1-11H,12-13H2
InChI Key:
MJLUZWZOKQEWIW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCCSc1cccc2c1nccc2

Properties

Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.065g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.434g/mol
Monoisotopic Mass:
297.065g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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