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116205-50-6 | Anthracene, 1,5-bis(phenylthio)-
CAS No: 116205-50-6 Catalog No: AG000BW7 MDL No:
Product Description
Catalog Number:
AG000BW7
Chemical Name:
Anthracene, 1,5-bis(phenylthio)-
CAS Number:
116205-50-6
Molecular Formula:
C26H18S2
Molecular Weight:
394.5511
IUPAC Name:
1,5-bis(phenylsulfanyl)anthracene
InChI:
InChI=1S/C26H18S2/c1-3-11-21(12-4-1)27-25-15-7-9-19-18-24-20(17-23(19)25)10-8-16-26(24)28-22-13-5-2-6-14-22/h1-18H
InChI Key:
DHJKUGBFTGIUGK-UHFFFAOYSA-N
SMILES:
c1cc(Sc2ccccc2)c2c(c1)cc1c(c2)cccc1Sc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.55g/mol
Monoisotopic Mass:
394.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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