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Home > Indoles and Oxindole > 65417-88-1
65417-88-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(octylthio)methyl]-
CAS No: 65417-88-1 Catalog No: AG006R03 MDL No:
Product Description
Catalog Number:
AG006R03
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(octylthio)methyl]-
CAS Number:
65417-88-1
Molecular Formula:
C17H23NO2S
Molecular Weight:
305.4350
IUPAC Name:
2-(octylsulfanylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C17H23NO2S/c1-2-3-4-5-6-9-12-21-13-18-16(19)14-10-7-8-11-15(14)17(18)20/h7-8,10-11H,2-6,9,12-13H2,1H3
InChI Key:
SVPARTKJUFSXKC-UHFFFAOYSA-N
SMILES:
CCCCCCCCSCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.436g/mol
Monoisotopic Mass:
305.145g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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