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2877-69-2 | Benzenesulfonamide, 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]-
CAS No: 2877-69-2 Catalog No: AG002WEQ MDL No:
Product Description
Catalog Number:
AG002WEQ
Chemical Name:
Benzenesulfonamide, 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]-
CAS Number:
2877-69-2
Molecular Formula:
C10H12N8O2S
Molecular Weight:
308.3197
IUPAC Name:
4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonamide
InChI:
InChI=1S/C10H12N8O2S/c11-8-7(9(12)16-10(13)15-8)18-17-5-1-3-6(4-2-5)21(14,19)20/h1-4H,(H2,14,19,20)(H6,11,12,13,15,16)
InChI Key:
DNSOFHYVURNLJL-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)N)N=Nc1ccc(cc1)S(=O)(=O)N
NSC Number:
84124
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.32g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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