zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)

• ChemBase ID: 111573
• Molecular Formular: C18H36N2S4Zn
• Molecular Mass: 474.13184
• Monoisotopic Mass: 472.10527516
• SMILES: [Zn+2].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-]
• Canonical SMILES: CCCCN(C(=S)[S-])CCCC.CCCCN(C(=S)[S-])CCCC.[Zn+2]
• InChI: InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
• InChIKey: BOXSVZNGTQTENJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)
• IUPAC Traditional name: zinc, ion (zn2+) bis((dibutylcarbamothioyl)sulfanide)
• Synonyms: ZINC DIBUTYLDITHIOCARBAMATE

Database IDs

• CAS Number: 136-23-2
• PubChem SID: 162096798
• PubChem CID: 5284483

CALCULATED PROPERTIES

• Acid pKa: 1.9998506
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8004277
• LogD (pH = 7.4): 2.7986832
• Log P: 3.9416428
• Molar Refractivity: 64.0079 cm^3
• Polarizability: 25.298904 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106°C

DETAILS

MP Biomedicals - 05219924

MP Biomedicals Rare Chemical collection