Home Halogens 3-{5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}-1lambda6-thiolane-1,1-dione

3-{5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}-1lambda6-thiolane-1,1-dione

CAS No.:
1016857-76-3
Catalog Number:
AG01A6LF
Molecular Formula:
C11H12BrN3O2S
Molecular Weight:
330.2009
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Product Description
Catalog Number:
AG01A6LF
Chemical Name:
3-{5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}-1lambda6-thiolane-1,1-dione
CAS Number:
1016857-76-3
Molecular Formula:
C11H12BrN3O2S
Molecular Weight:
330.2009
MDL Number:
MFCD09939819
IUPAC Name:
3-(5-bromo-3-methylpyrazolo[3,4-b]pyridin-1-yl)thiolane 1,1-dioxide
InChI:
InChI=1S/C11H12BrN3O2S/c1-7-10-4-8(12)5-13-11(10)15(14-7)9-2-3-18(16,17)6-9/h4-5,9H,2-3,6H2,1H3
InChI Key:
KPWIGQJHUKOUNV-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(C)nn2C1CCS(=O)(=O)C1
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.983g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.2g/mol
Monoisotopic Mass:
328.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties