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Home > Indoles and Oxindole > 443120-58-9
443120-58-9 | 2-[3-(pyridin-2-ylsulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 443120-58-9 Catalog No: AG01B94H MDL No:MFCD02755477
Product Description
Catalog Number:
AG01B94H
Chemical Name:
2-[3-(pyridin-2-ylsulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
443120-58-9
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
MDL Number:
MFCD02755477
IUPAC Name:
2-(3-pyridin-2-ylsulfanylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O2S/c19-15-12-6-1-2-7-13(12)16(20)18(15)10-5-11-21-14-8-3-4-9-17-14/h1-4,6-9H,5,10-11H2
InChI Key:
WXWKEKKGTHDNKD-UHFFFAOYSA-N
SMILES:
O=C1N(CCCSc2ccccn2)C(=O)c2c1cccc2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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