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Home > Indoles and Oxindole > 87943-20-2
87943-20-2 | 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-methylphenyl)thio]ethyl]-
CAS No: 87943-20-2 Catalog No: AG004D5U MDL No:
Product Description
Catalog Number:
AG004D5U
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-methylphenyl)thio]ethyl]-
CAS Number:
87943-20-2
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
IUPAC Name:
2-[2-(4-methylphenyl)sulfanylethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H15NO2S/c1-12-6-8-13(9-7-12)21-11-10-18-16(19)14-4-2-3-5-15(14)17(18)20/h2-9H,10-11H2,1H3
InChI Key:
PIZFWBBQVWOCGP-UHFFFAOYSA-N
SMILES:
O=C1N(CCSc2ccc(cc2)C)C(=O)c2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.372g/mol
Monoisotopic Mass:
297.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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