cobalt(2+) ion potassium tris(cyanosulfanide)

• ChemBase ID: 111038
• Molecular Formular: C3CoKN3S3
• Molecular Mass: 272.2787
• Monoisotopic Mass: 271.8223367
• SMILES: [K+].[Co+2].[S-]C#N.[S-]C#N.[S-]C#N
• Canonical SMILES: [S-]C#N.[S-]C#N.[S-]C#N.[K+].[Co+2]
• InChI: InChI=1S/3CHNS.Co.K/c3*2-1-3;;/h3*3H;;/q;;;+2;+1/p-3
• InChIKey: XBYVWPVKAUQWLK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion potassium tris(cyanosulfanide)
• IUPAC Traditional name: cobalt(2+) potassium ion trithiocyanate
• Synonyms: POTASSIUM COBALTITHIOCYANATE

Database IDs

• PubChem SID: 162106483
• PubChem CID: 25022081

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 - 05217532

MP Biomedicals Rare Chemical collection