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

• ChemBase ID: 111594
• Molecular Formular: C10H20N2S4Zn
• Molecular Mass: 361.9192
• Monoisotopic Mass: 359.98007465
• SMILES: [Zn+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-]
• Canonical SMILES: CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.[Zn+2]
• InChI: InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
• InChIKey: RKQOSDAEEGPRER-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 14324-55-1
• PubChem SID: 162089393
• PubChem CID: 26633

CALCULATED PROPERTIES

• Acid pKa: 2.001002
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.86625016
• LogD (pH = 7.4): 0.8645011
• Log P: 2.0074608
• Molar Refractivity: 45.7579 cm^3
• Polarizability: 17.911148 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219981

MP Biomedicals Rare Chemical collection