bis[(diethylcarbamothioyl)sulfanyl]plumbane

• ChemBase ID: 158517
• Molecular Formular: C10H20N2PbS4
• Molecular Mass: 503.7392
• Monoisotopic Mass: 504.02758465
• SMILES: CCN(CC)C(=S)S[Pb]SC(=S)N(CC)CC
• Canonical SMILES: CCN(C(=S)S[Pb]SC(=S)N(CC)CC)CC
• InChI: InChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
• InChIKey: XTFSWQKNABTKAT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(diethylcarbamothioyl)sulfanyl]plumbane
• IUPAC Traditional name: bis[(diethylcarbamothioyl)sulfanyl]plumbane
• Synonyms: Diethyldithiocarbamic acid lead salt; Lead diethyldithiocarbamate; 二乙基二硫代氨基甲酸 铅盐; 二乙基二硫代氨基甲酸铅

Database IDs

• CAS Number: 17549-30-3
• EC Number: 241-534-6
• MDL Number: MFCD00065011
• Beilstein Number: 3717252
• PubChem SID: 24848859; 162252653
• PubChem CID: 4356575

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8852
• LogD (pH = 7.4): 3.8852
• Log P: 3.8852
• Molar Refractivity: 88.2352 cm^3
• Polarizability: 41.439598 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: EZ5600000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3467
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 61-20/22-33-50/53-62
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H332-H360Df-H373-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3467 6.1/PG 3

Product Information

• Purity: ≥98.0% (CHN)
• Grade: for copper determination; purum p.a.
• Linear Formula: [(C2H5)2NCSS]2Pb

DETAILS

Sigma Aldrich - 15331

Other Notes
Reagent for the determination of copper1; Reagent for enriching Hg, Cu and Au in seawater prior to neutron activation analysis2