nickel(2+) ion bis(cyanosulfanide)

• ChemBase ID: 109536
• Molecular Formular: C2N2NiS2
• Molecular Mass: 174.8582
• Monoisotopic Mass: 173.88563291
• SMILES: [Ni+2].[S-]C#N.[S-]C#N
• Canonical SMILES: [S-]C#N.[S-]C#N.[Ni+2]
• InChI: InChI=1S/2CHNS.Ni/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: ALYMILAYQDOMFU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(cyanosulfanide)
• IUPAC Traditional name: nickel(2+) dithiocyanate
• Synonyms: NICKEL THIOCYANATE

Database IDs

• CAS Number: 13689-92-4
• PubChem SID: 162096294
• PubChem CID: 6096174

CALCULATED PROPERTIES

• Acid pKa: 0.49709612
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6371734
• LogD (pH = 7.4): -0.63722837
• Log P: 0.5057529
• Molar Refractivity: 16.0894 cm^3
• Polarizability: 5.888356 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05211491

MP Biomedicals Rare Chemical collection