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116239-45-3 | 9,10-Anthracenedione, 1-(2-naphthalenylthio)-5-(pentylthio)-
CAS No: 116239-45-3 Catalog No: AG000C0O MDL No:
Product Description
Catalog Number:
AG000C0O
Chemical Name:
9,10-Anthracenedione, 1-(2-naphthalenylthio)-5-(pentylthio)-
CAS Number:
116239-45-3
Molecular Formula:
C29H24O2S2
Molecular Weight:
468.6297
IUPAC Name:
1-naphthalen-2-ylsulfanyl-5-pentylsulfanylanthracene-9,10-dione
InChI:
InChI=1S/C29H24O2S2/c1-2-3-6-17-32-24-13-7-11-22-26(24)28(30)23-12-8-14-25(27(23)29(22)31)33-21-16-15-19-9-4-5-10-20(19)18-21/h4-5,7-16,18H,2-3,6,17H2,1H3
InChI Key:
WBIQRAHIXDCDTB-UHFFFAOYSA-N
SMILES:
CCCCCSc1cccc2c1C(=O)c1cccc(c1C2=O)Sc1ccc2c(c1)cccc2
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.122g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.629g/mol
Monoisotopic Mass:
468.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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