calcium bis(cyanosulfanide)

• ChemBase ID: 108146
• Molecular Formular: C2CaN2S2
• Molecular Mass: 156.2428
• Monoisotopic Mass: 155.91288099
• SMILES: [Ca+2].[S-]C#N.[S-]C#N
• Canonical SMILES: [S-]C#N.[S-]C#N.[Ca+2]
• InChI: InChI=1S/2CHNS.Ca/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: RLDQYSHDFVSAPL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium bis(cyanosulfanide)
• IUPAC Traditional name: calcium(2+) dithiocyanate
• Synonyms: CALCIUM THIOCYANATE

Database IDs

• CAS Number: 2092-16-2
• PubChem SID: 162094368
• PubChem CID: 159641

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