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

• ChemBase ID: 109266
• Molecular Formular: C6H12N2S4Zn
• Molecular Mass: 305.81288
• Monoisotopic Mass: 303.91747439
• SMILES: [Zn+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-]
• Canonical SMILES: CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Zn+2]
• InChI: InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
• InChIKey: DUBNHZYBDBBJHD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 137-30-4
• EC Number: 205-288-3
• PubChem SID: 162095003
• PubChem CID: 8722

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

PROPERTIES

Physical Property

• Melting Point: 245°C
• Density: 1.66-1.68 g/ml

Safety Information

• RTECS: ZH0525000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:22-36/37/38-40-58
• Safety Statements: S:36/37-61

DETAILS

MP Biomedicals - 05210386

MP Biomedicals Rare Chemical collection