copper(2+) ion bis((dimethylcarbamothioyl)sulfanide)

• ChemBase ID: 109403
• Molecular Formular: C6H12CuN2S4
• Molecular Mass: 303.97888
• Monoisotopic Mass: 302.91792989
• SMILES: [Cu+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-]
• Canonical SMILES: CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Cu+2]
• InChI: InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
• InChIKey: ZOUQIAGHKFLHIA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis((dimethylcarbamothioyl)sulfanide)
• IUPAC Traditional name: copper(2+) bis((dimethylcarbamothioyl)sulfanide)
• Synonyms: CUPRIC DIMETHYLDITHIOCARBAMATE

Database IDs

• CAS Number: 137-29-1
• PubChem SID: 162095163
• PubChem CID: 472181

CALCULATED PROPERTIES

• Acid pKa: 2.0140626
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.15268822
• LogD (pH = 7.4): 0.1508859
• Log P: 1.2938448
• Molar Refractivity: 36.2607 cm^3
• Polarizability: 14.217208 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210893

MP Biomedicals Rare Chemical collection