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Home > Indoles and Oxindole > 88683-34-5
88683-34-5 | 1H-Isoindole-1,3(2H)-dione, 2-[(2,2-dimethylpropyl)thio]-
CAS No: 88683-34-5 Catalog No: AG0047G2 MDL No:
Product Description
Catalog Number:
AG0047G2
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2,2-dimethylpropyl)thio]-
CAS Number:
88683-34-5
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
2-(2,2-dimethylpropylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO2S/c1-13(2,3)8-17-14-11(15)9-6-4-5-7-10(9)12(14)16/h4-7H,8H2,1-3H3
InChI Key:
PQYUXJKQHQPCRT-UHFFFAOYSA-N
SMILES:
CC(CSN1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
311
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:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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