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Home > Indoles and Oxindole > 59501-75-6
59501-75-6 | 2-[6-(methylsulfanyl)hexyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 59501-75-6 Catalog No: AG01A64V MDL No:MFCD25371723
Product Description
Catalog Number:
AG01A64V
Chemical Name:
2-[6-(methylsulfanyl)hexyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
59501-75-6
Molecular Formula:
C15H19NO2S
Molecular Weight:
277.3819
MDL Number:
MFCD25371723
IUPAC Name:
2-(6-methylsulfanylhexyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H19NO2S/c1-19-11-7-3-2-6-10-16-14(17)12-8-4-5-9-13(12)15(16)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChI Key:
SWHOTOHVNMOBHZ-UHFFFAOYSA-N
SMILES:
CSCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.382g/mol
Monoisotopic Mass:
277.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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