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Home > Indoles and Oxindole > 108861-48-9
108861-48-9 | 1H-Indole, 1-[(4-methylphenyl)sulfonyl]-4-[(methylsulfonyl)methyl]-
CAS No: 108861-48-9 Catalog No: AG007BON MDL No:
Product Description
Catalog Number:
AG007BON
Chemical Name:
1H-Indole, 1-[(4-methylphenyl)sulfonyl]-4-[(methylsulfonyl)methyl]-
CAS Number:
108861-48-9
Molecular Formula:
C17H17NO4S2
Molecular Weight:
363.4512
IUPAC Name:
1-(4-methylphenyl)sulfonyl-4-(methylsulfonylmethyl)indole
InChI:
InChI=1S/C17H17NO4S2/c1-13-6-8-15(9-7-13)24(21,22)18-11-10-16-14(12-23(2,19)20)4-3-5-17(16)18/h3-11H,12H2,1-2H3
InChI Key:
JFVGVTZYGUQDOD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1cccc2CS(=O)(=O)C
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.06g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.446g/mol
Monoisotopic Mass:
363.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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