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Home > Indoles and Oxindole > 89036-43-1
89036-43-1 | 1H-Isoindole-1,3(2H)-dione, 2-[5-(1,3-dithian-2-yl)pentyl]-
CAS No: 89036-43-1 Catalog No: AG00424Y MDL No:
Product Description
Catalog Number:
AG00424Y
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[5-(1,3-dithian-2-yl)pentyl]-
CAS Number:
89036-43-1
Molecular Formula:
C17H21NO2S2
Molecular Weight:
335.4841
IUPAC Name:
2-[5-(1,3-dithian-2-yl)pentyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H21NO2S2/c19-16-13-7-3-4-8-14(13)17(20)18(16)10-5-1-2-9-15-21-11-6-12-22-15/h3-4,7-8,15H,1-2,5-6,9-12H2
InChI Key:
CXQHEEYSABKDKB-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCC2SCCCS2)C(=O)c2c1cccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.48g/mol
Monoisotopic Mass:
335.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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