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Home > Indoles and Oxindole > 15199-26-5
15199-26-5 | 1H-Isoindole-1,3(2H)-dione,2-[(4-methylphenyl)thio]-
CAS No: 15199-26-5 Catalog No: AG007JSR MDL No:
Product Description
Catalog Number:
AG007JSR
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[(4-methylphenyl)thio]-
CAS Number:
15199-26-5
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
2-(4-methylphenyl)sulfanylisoindole-1,3-dione
InChI:
InChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChI Key:
JQDALPOOQVVODE-UHFFFAOYSA-N
SMILES:
O=C1N(Sc2ccc(cc2)C)C(=O)c2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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