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124017-59-0 | Thiirane, 2,2-bis(4-methoxyphenyl)-3,3-diphenyl-
CAS No: 124017-59-0 Catalog No: AG000LEF MDL No:
Product Description
Catalog Number:
AG000LEF
Chemical Name:
Thiirane, 2,2-bis(4-methoxyphenyl)-3,3-diphenyl-
CAS Number:
124017-59-0
Molecular Formula:
C28H24O2S
Molecular Weight:
424.5540
IUPAC Name:
2,2-bis(4-methoxyphenyl)-3,3-diphenylthiirane
InChI:
InChI=1S/C28H24O2S/c1-29-25-17-13-23(14-18-25)28(24-15-19-26(30-2)20-16-24)27(31-28,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-20H,1-2H3
InChI Key:
LDIZHQNMXAMMGX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(SC1(c1ccccc1)c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.15g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.558g/mol
Monoisotopic Mass:
424.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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