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84674-67-9 | 9,10-Anthracenedione, 1-[(3-methylphenyl)thio]-5-(phenylthio)-
CAS No: 84674-67-9 Catalog No: AG004SZ3 MDL No:
Product Description
Catalog Number:
AG004SZ3
Chemical Name:
9,10-Anthracenedione, 1-[(3-methylphenyl)thio]-5-(phenylthio)-
CAS Number:
84674-67-9
Molecular Formula:
C27H18O2S2
Molecular Weight:
438.5606
IUPAC Name:
1-(3-methylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
InChI:
InChI=1S/C27H18O2S2/c1-17-8-5-11-19(16-17)31-23-15-7-13-21-25(23)27(29)20-12-6-14-22(24(20)26(21)28)30-18-9-3-2-4-10-18/h2-16H,1H3
InChI Key:
GPNDEIFUGJGVHQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Sc1cccc2c1C(=O)c1cccc(c1C2=O)Sc1ccccc1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.075g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.559g/mol
Monoisotopic Mass:
438.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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