cobalt(2+) ion bis(cyanosulfanide)

• ChemBase ID: 110223
• Molecular Formular: C2CoN2S2
• Molecular Mass: 175.098
• Monoisotopic Mass: 174.88348501
• SMILES: [Co+2].[S-]C#N.[S-]C#N
• Canonical SMILES: [S-]C#N.[S-]C#N.[Co+2]
• InChI: InChI=1S/2CHNS.Co/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: INDBQWVYFLTCFF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion bis(cyanosulfanide)
• IUPAC Traditional name: cobalt(2+) dithiocyanate
• Synonyms: COBALTOUS THIOCYANATE

Database IDs

• CAS Number: 3017-60-5
• EC Number: 221-156-8
• PubChem SID: 162095420
• PubChem CID: 18174

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

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:40-42/43-68
• Safety Statements: S:22-29-36/37/39-46-53

DETAILS

MP Biomedicals - 05214178

MP Biomedicals Rare Chemical collection