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Home > Indoles and Oxindole > 85053-10-7
85053-10-7 | 2-(3-(phenylthio)propyl)-1h-isoindole-1,3(2h)-dione
CAS No: 85053-10-7 Catalog No: AG004PRL MDL No:
Product Description
Catalog Number:
AG004PRL
Chemical Name:
2-(3-(phenylthio)propyl)-1h-isoindole-1,3(2h)-dione
CAS Number:
85053-10-7
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
IUPAC Name:
2-(3-phenylsulfanylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C17H15NO2S/c19-16-14-9-4-5-10-15(14)17(20)18(16)11-6-12-21-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChI Key:
BYUIXCDIRNBWLK-UHFFFAOYSA-N
SMILES:
O=C1N(CCCSc2ccccc2)C(=O)c2c1cccc2
NSC Number:
101023
Properties
Complexity:
368
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:
5
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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