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923583-63-5 | 1H-Pyrrolo[2,3-b]pyridine, 5-(butylthio)-3-iodo-1-(phenylsulfonyl)-
CAS No: 923583-63-5 Catalog No: AG00670J MDL No:
Product Description
Catalog Number:
AG00670J
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-(butylthio)-3-iodo-1-(phenylsulfonyl)-
CAS Number:
923583-63-5
Molecular Formula:
C17H17IN2O2S2
Molecular Weight:
472.3635
IUPAC Name:
1-(benzenesulfonyl)-5-butylsulfanyl-3-iodopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C17H17IN2O2S2/c1-2-3-9-23-13-10-15-16(18)12-20(17(15)19-11-13)24(21,22)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9H2,1H3
InChI Key:
RCVOPGUMXPGYCI-UHFFFAOYSA-N
SMILES:
CCCCSc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.978g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.359g/mol
Monoisotopic Mass:
471.978g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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