Home Sulfos 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine disodium salt hydrate

3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine disodium salt hydrate

CAS No.:
28048-33-1
Catalog Number:
AG003QL9
Molecular Formula:
C20H12N4Na2O6S2
Molecular Weight:
514.4420
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(T)(HPLC)
1 week
United States
$88
- +
Product Description
Catalog Number:
AG003QL9
Chemical Name:
3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine disodium salt hydrate
CAS Number:
28048-33-1
Molecular Formula:
C20H12N4Na2O6S2
Molecular Weight:
514.4420
MDL Number:
MFCD00041027
IUPAC Name:
disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate
InChI:
InChI=1S/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
InChI Key:
DDIHLFCSEHAOJZ-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)c1ccc(cc1)c1nc(nnc1c1ccc(cc1)S(=O)(=O)[O-])c1ccccn1.[Na+].[Na+]
UNII:
29J2CIW9PK
Properties
Complexity:
801  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.999g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.438g/mol
Monoisotopic Mass:
513.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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Properties