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923583-62-4 | 1H-Pyrrolo[2,3-b]pyridine, 5-(butylthio)-3-iodo-
CAS No: 923583-62-4 Catalog No: AG006JSG MDL No:
Product Description
Catalog Number:
AG006JSG
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-(butylthio)-3-iodo-
CAS Number:
923583-62-4
Molecular Formula:
C11H13IN2S
Molecular Weight:
332.2038
IUPAC Name:
5-butylsulfanyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C11H13IN2S/c1-2-3-4-15-8-5-9-10(12)7-14-11(9)13-6-8/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key:
RPCHMKFKWSRPMD-UHFFFAOYSA-N
SMILES:
CCCCSc1cnc2c(c1)c(I)c[nH]2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.203g/mol
Monoisotopic Mass:
331.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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