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
• Uses: N,N-Diethyldithiocarbamic Acid is a metabolite of Disulfiram (D493640). The acid is a known inhibitor of superoxide dismutase, this agent can either potentiate or protect against cell oxidative damage caused by ionizing radiation

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

3-chloro-1-dicyclohexylamino-5-(diethyl-thiocarbamoylsulfanyl)-1λ⁴-[1,2,4,6]thiatriazine

2-Phenylvinyl-diethyldithiocarbamat

Diethyl-dithiocarbamic acid (E)-3-furan-2-yl-3-oxo-1-phenyl-propenyl ester

Refernces

• 1、 Nikolov et al.. "". . p. 1055,1056 - 1058. Retrieved 1971.
• 2、 -. "Method for preparing tetraalkyl thiuram disulfide through photocatalytic oxidation". Paragraph 0079; 0081; 0083; 0085; 0112; 0115. . Retrieved 2021/02/13.
• 3、 Bhandari, Sonal,Godugu, Chandraiah,Laxmikeshav, Kritika,Panda, Biswajit,Sakla, Akash P.,Shankaraiah, Nagula,Soni, Jay Prakash. "Dithiocarbamation of spiro-aziridine oxindoles: a facile access to C3-functionalised 3-thiooxindoles as apoptosis inducing agents". . p. 10622 - 10634. Retrieved 2021/12/27.