Home Sulfos 5-methanesulfonylisoquinolin-8-amine

5-methanesulfonylisoquinolin-8-amine

CAS No.:
1156940-49-6
Catalog Number:
AG01C5Q9
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
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Product Description
Catalog Number:
AG01C5Q9
Chemical Name:
5-methanesulfonylisoquinolin-8-amine
CAS Number:
1156940-49-6
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD12172910
IUPAC Name:
5-methylsulfonylisoquinolin-8-amine
InChI:
InChI=1S/C10H10N2O2S/c1-15(13,14)10-3-2-9(11)8-6-12-5-4-7(8)10/h2-6H,11H2,1H3
InChI Key:
ZPNMKLWPPTUHIF-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1cncc2)S(=O)(=O)C
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties