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Home > Sulfanilamide > 21268-01-9
21268-01-9 | Benzenesulfonamide,4-[[6-(methylthio)-9H-purin-9-yl]methyl]-
CAS No: 21268-01-9 Catalog No: AG006Y1V MDL No:
Product Description
Catalog Number:
AG006Y1V
Chemical Name:
Benzenesulfonamide,4-[[6-(methylthio)-9H-purin-9-yl]methyl]-
CAS Number:
21268-01-9
Molecular Formula:
C13H13N5O2S2
Molecular Weight:
335.4046
IUPAC Name:
4-[(6-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide
InChI:
InChI=1S/C13H13N5O2S2/c1-21-13-11-12(15-7-16-13)18(8-17-11)6-9-2-4-10(5-3-9)22(14,19)20/h2-5,7-8H,6H2,1H3,(H2,14,19,20)
InChI Key:
AXRCREXQEFXELO-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1ncn2Cc1ccc(cc1)S(=O)(=O)N
NSC Number:
109844
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.4g/mol
Monoisotopic Mass:
335.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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