cadmium(2+) ion bis(piperidine-1-carbothioylsulfanide)

• ChemBase ID: 107449
• Molecular Formular: C12H20CdN2S4
• Molecular Mass: 432.9716
• Monoisotopic Mass: 433.95429065
• SMILES: [Cd+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1
• Canonical SMILES: [S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1.[Cd+2]
• InChI: InChI=1S/2C6H11NS2.Cd/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
• InChIKey: CBRPDZBWFKLGJH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion bis(piperidine-1-carbothioylsulfanide)
• IUPAC Traditional name: cadmium(2+) bis(piperidine-1-carbothioylsulfanide)
• Synonyms: CADMIUM CYCLOPENTAMETHYLENE DITHIOCARBAMATE

Database IDs

• CAS Number: 14949-59-8
• PubChem SID: 162093550
• PubChem CID: 84725

CALCULATED PROPERTIES

• Acid pKa: 1.9998499
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0029957
• LogD (pH = 7.4): 1.0012513
• Log P: 2.144211
• Molar Refractivity: 48.4027 cm^3
• Polarizability: 19.016254 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203772

MP Biomedicals Rare Chemical collection