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Home > Indoles and Oxindole > 88683-39-0
88683-39-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(1-ethylpropyl)thio]-
CAS No: 88683-39-0 Catalog No: AG0047FY MDL No:
Product Description
Catalog Number:
AG0047FY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1-ethylpropyl)thio]-
CAS Number:
88683-39-0
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
2-pentan-3-ylsulfanylisoindole-1,3-dione
InChI:
InChI=1S/C13H15NO2S/c1-3-9(4-2)17-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-9H,3-4H2,1-2H3
InChI Key:
YSNXCNCVHGFSCS-UHFFFAOYSA-N
SMILES:
CCC(SN1C(=O)c2c(C1=O)cccc2)CC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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