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Home > Indoles and Oxindole > 88683-49-2
88683-49-2 | 1H-Isoindole-1,3(2H)-dione, 2-[(1-methyl-1-phenylethyl)thio]-
CAS No: 88683-49-2 Catalog No: AG004793 MDL No:
Product Description
Catalog Number:
AG004793
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1-methyl-1-phenylethyl)thio]-
CAS Number:
88683-49-2
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
IUPAC Name:
2-(2-phenylpropan-2-ylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C17H15NO2S/c1-17(2,12-8-4-3-5-9-12)21-18-15(19)13-10-6-7-11-14(13)16(18)20/h3-11H,1-2H3
InChI Key:
NNFAKIWYGBHKHO-UHFFFAOYSA-N
SMILES:
O=C1N(SC(c2ccccc2)(C)C)C(=O)c2c1cccc2
Properties
Complexity:
405
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:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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