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923583-57-7 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-1-(phenylsulfonyl)-5-(phenylthio)-
CAS No: 923583-57-7 Catalog No: AG006JSI MDL No:
Product Description
Catalog Number:
AG006JSI
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-1-(phenylsulfonyl)-5-(phenylthio)-
CAS Number:
923583-57-7
Molecular Formula:
C19H13IN2O2S2
Molecular Weight:
492.3532
IUPAC Name:
1-(benzenesulfonyl)-3-iodo-5-phenylsulfanylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C19H13IN2O2S2/c20-18-13-22(26(23,24)16-9-5-2-6-10-16)19-17(18)11-15(12-21-19)25-14-7-3-1-4-8-14/h1-13H
InChI Key:
PBWKZZBBKXFPFB-UHFFFAOYSA-N
SMILES:
Ic1cn(c2c1cc(cn2)Sc1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.946g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.349g/mol
Monoisotopic Mass:
491.946g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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