disodium 4-[2-(1-oxo-4-sulfonato-1,2-dihydronaphthalen-2-ylidene)hydrazin-1-yl]naphthalene-1-sulfonate

• ChemBase ID: 112653
• Molecular Formular: C20H12N2Na2O7S2
• Molecular Mass: 502.42802
• Monoisotopic Mass: 501.9881313
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(N/N=C\2/C=C(c3ccccc3C2=O)S(=O)(=O)[O-])c2ccccc12
• Canonical SMILES: O=C1/C(=N\Nc2ccc(c3c2cccc3)S(=O)(=O)[O-])/C=C(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• InChIKey: OJNIRNOPCQQNRY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4-[2-(1-oxo-4-sulfonato-1,2-dihydronaphthalen-2-ylidene)hydrazin-1-yl]naphthalene-1-sulfonate
• IUPAC Traditional name: dipotassium 4-[2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazin-1-yl]naphthalene-1-sulfonate
• Synonyms: SOLOCHROME BRILLIANT BLUE

Database IDs

• CAS Number: 3567-69-9
• PubChem SID: 162098309
• PubChem CID: 5359894

CALCULATED PROPERTIES

• Acid pKa: -2.1592393
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): -1.5299091
• LogD (pH = 7.4): -1.5303283
• Log P: 0.49921894
• Molar Refractivity: 113.2659 cm^3
• Polarizability: 44.844147 Å^3
• Polar Surface Area: 155.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: #N/A
• Boiling Point: #N/A
• Density: #N/A

DETAILS

MP Biomedicals - 05225174

MP Biomedicals Rare Chemical collection