Diethyldithiocarbamic acid

Base Information

• Chemical Name: Diethyldithiocarbamic acid
• CAS No.: 147-84-2
• Deprecated CAS: 17156-83-1,942650-37-5,942650-37-5
• Molecular Formula: C5H11 N S2
• Molecular Weight: 149.281
• Hs Code.: 2930909090
• European Community (EC) Number: 205-701-7
• UNII: 99Z2744345
• DSSTox Substance ID: DTXSID3045017
• Nikkaji Number: J5.841F
• Wikidata: Q27093504
• NCI Thesaurus Code: C432
• Pharos Ligand ID: RJUMF7YA7H38
• Metabolomics Workbench ID: 147100
• ChEMBL ID: CHEMBL961
• Mol file: 147-84-2.mol

Synonyms:Ammonium Salt Ditiocarb;Bismuth Salt Ditiocarb;Diethylcarbamodithioic Acid;Diethyldithiocarbamate;Diethyldithiocarbamate, Sodium;Diethyldithiocarbamate, Zinc;Diethyldithiocarbamic Acid;Dithiocarb;Ditiocarb;Ditiocarb Sodium;Ditiocarb, Ammonium Salt;Ditiocarb, Bismuth Salt;Ditiocarb, Lead Salt;Ditiocarb, Potassium Salt;Ditiocarb, Sodium Salt;Ditiocarb, Sodium Salt, Trihydrate;Ditiocarb, Tin(4+) Salt;Ditiocarb, Zinc Salt;Imuthiol;Lead Salt Ditiocarb;Potassium Salt Ditiocarb;Sodium Diethyldithiocarbamate;Sodium Salt Ditiocarb;Sodium, Ditiocarb;Thiocarb;Zinc Diethyldithiocarbamate;Zinc Salt Ditiocarb

Chemical Property of Diethyldithiocarbamic acid

Chemical Property:

• Vapor Pressure: 1.1mmHg at 25°C
• Melting Point: 143-144 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 176.4°C at 760 mmHg
• PKA: 5.42±0.60(Predicted)
• Flash Point: 60.5°C
• PSA: 74.13000
• Density: 1.079 (estimate)
• LogP: 1.54290
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.03329170
• Heavy Atom Count: 8
• Complexity: 78.5

Purity/Quality:

99% ^*data from raw suppliers

DITIOCARB 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)S
• General Description: Diethanol-dithiocarbamate (DETC) is a sulfur-containing ligand that functions as a bidentate chelating agent in the formation of mixed-ligand uranium(IV) complexes. In coordination chemistry, it binds to the uranium metal ion alongside other ligands, such as β-diketonates, contributing to the stability and structure of the resulting complexes. The study highlights its role in forming eight-coordinate uranium(IV) complexes, which exhibit potential thermal stability and adopt geometries such as dodecahedral or square antiprismatic arrangements.

Technology Process of Diethyldithiocarbamic acid

There total 5 articles about Diethyldithiocarbamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + diethylamine (109-89-7) → Diethyldithiocarbamic acid (147-84-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01342a045

Reference yield:

Glu-DTC → azaquinodimethane + Diethyldithiocarbamic acid (147-84-2)

Guidance literature:

With GGT enzyme; Enzymatic reaction;

Reference yield:

Arg-Ser-Ser-Tyr-Tyr-Ser-Leu-pAB-DTC → Diethyldithiocarbamic acid (147-84-2) + Leu-PAB-DTC + Ser-Leu-PAB-DTC

Guidance literature:

With conditioned media from prostate cancer cell line, LNCaP; Enzymatic reaction;

upstream raw materials:

carbon disulfide

diethylamine

Downstream raw materials:

benzo[d]thiazol-2-yl diethylcarbamodithioate

diethylthiocarbamic acid-[(4-methoxy-phenyl)-arsonous acid ]-thioanhydride

diethylthiocarbamic acid phenylarsonous acid-thioanhydride

diethylthiocarbamic acid-[(2-methoxy-phenyl)-arsonous acid ]-thioanhydride

Refernces

Synthesis and characterisation of mixed-ligand complexes of uranium(IV) with oxygen and sulfur containing donor ligands

10.1080/00945719809351668

The research focuses on the synthesis and characterization of mixed-ligand complexes of Uranium(IV) with oxygen and sulfur-containing donor ligands. The purpose of this study was to create and analyze compounds of the type [U(OAc)2(β-diket)2] and [U(DETC)2(β-diket)2], where OAc represents acetate, DETC represents diethyl dithiocarbamate, and β-diket refers to a variety of fluorinated and non-fluorinated β-diketonates. The research aimed to understand the coordination modes of these ligands to the uranium metal ion and the thermal stability of the resulting complexes. The study concluded that the acetate, β-diketone, and diethyl dithiocarbamate ligands function as bidentate ligands, suggesting an eight-coordinate structure for the uranium complexes, possibly arranged in a dodecahedral, square antiprismatic, or intermediate form. Key chemicals used in the synthesis process included Uranium(IV) tetrachloride, various β-diketones (such as HFAA, TFAA, TTA, BTA, DBM, and AA), sodium salts of diethyl dithiocarbamate, and acetate dihydrate. The complexes were characterized using elemental analysis, infrared spectroscopy, 1H NMR, mass spectrometry, and thermogravimetric analysis.