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Home > Indoles and Oxindole > 69177-59-9
69177-59-9 | 1H-Isoindole-1,3(2H)-dione, 2-[phenyl(phenylthio)methyl]-
CAS No: 69177-59-9 Catalog No: AG006BW3 MDL No:
Product Description
Catalog Number:
AG006BW3
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[phenyl(phenylthio)methyl]-
CAS Number:
69177-59-9
Molecular Formula:
C21H15NO2S
Molecular Weight:
345.4143
IUPAC Name:
2-[phenyl(phenylsulfanyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H15NO2S/c23-19-17-13-7-8-14-18(17)20(24)22(19)21(15-9-3-1-4-10-15)25-16-11-5-2-6-12-16/h1-14,21H
InChI Key:
SENNFJRKWDDTQW-UHFFFAOYSA-N
SMILES:
O=C1N(C(c2ccccc2)Sc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.082g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.416g/mol
Monoisotopic Mass:
345.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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