zinc(2+) ion bis(cyanosulfanide)

• ChemBase ID: 111623
• Molecular Formular: C2N2S2Zn
• Molecular Mass: 181.5448
• Monoisotopic Mass: 179.87943201
• SMILES: [Zn+2].[S-]C#N.[S-]C#N
• Canonical SMILES: [S-]C#N.[S-]C#N.[Zn+2]
• InChI: InChI=1S/2CHNS.Zn/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: MLVWCBYTEFCFSG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(cyanosulfanide)
• IUPAC Traditional name: zinc, ion (zn2+) dithiocyanate
• Synonyms: ZINC RHODANIDE

Database IDs

• CAS Number: 26399-71-3
• PubChem SID: 162097247
• PubChem CID: 68405

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