200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 123333-58-4
123333-58-4 | Benzenesulfonic acid, 3-[2-pyridinyl[2-(2-pyridinyl)hydrazinylidene]methyl]-, hydrate (1:2)
CAS No: 123333-58-4 Catalog No: AG000KCT MDL No:
Product Description
Catalog Number:
AG000KCT
Chemical Name:
Benzenesulfonic acid, 3-[2-pyridinyl[2-(2-pyridinyl)hydrazinylidene]methyl]-, hydrate (1:2)
CAS Number:
123333-58-4
Molecular Formula:
C17H18N4O5S
Molecular Weight:
390.4136
IUPAC Name:
3-[C-pyridin-2-yl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid;dihydrate
InChI:
InChI=1S/C17H14N4O3S.2H2O/c22-25(23,24)14-7-5-6-13(12-14)17(15-8-1-3-10-18-15)21-20-16-9-2-4-11-19-16;;/h1-12H,(H,19,20)(H,22,23,24);2*1H2
InChI Key:
GINQVBKQORLPJU-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc(c1)C(=NNc1ccccn1)c1ccccn1.O.O
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
390.414g/mol
Monoisotopic Mass:
390.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.