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144602-50-6 | 1-Butanone, 1,3-diphenyl-4,4-bis(phenylsulfinyl)-
CAS No: 144602-50-6 Catalog No: AG001JUB MDL No:
Product Description
Catalog Number:
AG001JUB
Chemical Name:
1-Butanone, 1,3-diphenyl-4,4-bis(phenylsulfinyl)-
CAS Number:
144602-50-6
Molecular Formula:
C28H24O3S2
Molecular Weight:
472.6184
IUPAC Name:
4,4-bis(benzenesulfinyl)-1,3-diphenylbutan-1-one
InChI:
InChI=1S/C28H24O3S2/c29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(32(30)24-17-9-3-10-18-24)33(31)25-19-11-4-12-20-25/h1-20,26,28H,21H2
InChI Key:
WCUSKTHBFOSUKE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C(S(=O)c1ccccc1)S(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.117g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.617g/mol
Monoisotopic Mass:
472.117g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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