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Home > Indoles and Oxindole > 84484-66-2
84484-66-2 | 1H-Isoindole-1,3(2H)-dione, 2-[5-(1,3-dithiolan-2-yl)pentyl]-
CAS No: 84484-66-2 Catalog No: AG004S0T MDL No:
Product Description
Catalog Number:
AG004S0T
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[5-(1,3-dithiolan-2-yl)pentyl]-
CAS Number:
84484-66-2
Molecular Formula:
C16H19NO2S2
Molecular Weight:
321.4576
IUPAC Name:
2-[5-(1,3-dithiolan-2-yl)pentyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H19NO2S2/c18-15-12-6-3-4-7-13(12)16(19)17(15)9-5-1-2-8-14-20-10-11-21-14/h3-4,6-7,14H,1-2,5,8-11H2
InChI Key:
MHBQOQMWIMPFKD-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCC2SCCS2)C(=O)c2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.453g/mol
Monoisotopic Mass:
321.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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