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89478-11-5

89478-11-5 | 1,4-Naphthalenedione, 2-(pentylthio)-

CAS No: 89478-11-5 Catalog No: AG0041VJ MDL No:

Product Description

Catalog Number:
AG0041VJ
Chemical Name:
1,4-Naphthalenedione, 2-(pentylthio)-
CAS Number:
89478-11-5
Molecular Formula:
C15H16O2S
Molecular Weight:
260.3513
IUPAC Name:
2-pentylsulfanylnaphthalene-1,4-dione
InChI:
InChI=1S/C15H16O2S/c1-2-3-6-9-18-14-10-13(16)11-7-4-5-8-12(11)15(14)17/h4-5,7-8,10H,2-3,6,9H2,1H3
InChI Key:
LQSDCDUEAAAENU-UHFFFAOYSA-N
SMILES:
CCCCCSC1=CC(=O)c2c(C1=O)cccc2

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.087g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.351g/mol
Monoisotopic Mass:
260.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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