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16336-55-3 | Phenanthrene, 9-(phenylthio)-
CAS No: 16336-55-3 Catalog No: AG001U2I MDL No:
Product Description
Catalog Number:
AG001U2I
Chemical Name:
Phenanthrene, 9-(phenylthio)-
CAS Number:
16336-55-3
Molecular Formula:
C20H14S
Molecular Weight:
286.3902
IUPAC Name:
9-phenylsulfanylphenanthrene
InChI:
InChI=1S/C20H14S/c1-2-9-16(10-3-1)21-20-14-15-8-4-5-11-17(15)18-12-6-7-13-19(18)20/h1-14H
InChI Key:
QTVVTEQWELDHDO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1cc2ccccc2c2c1cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.392g/mol
Monoisotopic Mass:
286.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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