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Home > Other Heterocycles > 88656-21-7
88656-21-7 | 3-Thiabicyclo[4.4.1]undeca-1,5,7,9-tetraen-4-one, 2,5-diphenyl-
CAS No: 88656-21-7 Catalog No: AG0047VI MDL No:
Product Description
Catalog Number:
AG0047VI
Chemical Name:
3-Thiabicyclo[4.4.1]undeca-1,5,7,9-tetraen-4-one, 2,5-diphenyl-
CAS Number:
88656-21-7
Molecular Formula:
C22H16OS
Molecular Weight:
328.4268
IUPAC Name:
2,5-diphenyl-3-thiabicyclo[4.4.1]undeca-1,5,7,9-tetraen-4-one
InChI:
InChI=1S/C22H16OS/c23-22-20(16-9-3-1-4-10-16)18-13-7-8-14-19(15-18)21(24-22)17-11-5-2-6-12-17/h1-14H,15H2
InChI Key:
UKOIANKZYLVVID-UHFFFAOYSA-N
SMILES:
O=c1sc(c2ccccc2)c2Cc(c1c1ccccc1)cccc2
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.429g/mol
Monoisotopic Mass:
328.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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