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148433-44-7 | 1H-Indene-1,3(2H)-dione, 2-phenyl-2-(phenylthio)-
CAS No: 148433-44-7 Catalog No: AG001KWV MDL No:
Product Description
Catalog Number:
AG001KWV
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-phenyl-2-(phenylthio)-
CAS Number:
148433-44-7
Molecular Formula:
C21H14O2S
Molecular Weight:
330.3997
IUPAC Name:
2-phenyl-2-phenylsulfanylindene-1,3-dione
InChI:
InChI=1S/C21H14O2S/c22-19-17-13-7-8-14-18(17)20(23)21(19,15-9-3-1-4-10-15)24-16-11-5-2-6-12-16/h1-14H
InChI Key:
ABKYTUWTUZKMFA-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C1(Sc1ccccc1)c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.401g/mol
Monoisotopic Mass:
330.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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