Imuthiol

Base Information

• Chemical Name: Imuthiol
• CAS No.: 148-18-5
• Molecular Formula: C5H10NNaS2
• Molecular Weight: 171.263
• Hs Code.: 2930909090
• Mol file: 148-18-5.mol

Synonyms:Diethylcarbamodithioic acid, sodium salt;Imuthiol;Cupral;Sodium DEDT;DDTC;DEDK;Usaf ek-2596;Diethyl sodium dithiocarbamate;NCI CO2835;Sodium diethylaminocarbodithioate;GS 694A;Diethyldithiocarbamic acid, sodium;Diethyl dithiocarbamate sodium salt;Diethyldithiocarbamic acid sodium salt;Sodium salt of N,N-diethyldithiocarbamic acid;Diethyldithiocatbamide;DTC;C5H10NS2.Na;SCHEMBL622679;Sodium diethyldithiocarbamate, ACS;LS-862;Diethyl dithiocarbamic acid sodium salt;A808743;diethylcarbamodithioic acid;sodium;Ditiocarb sodium

Chemical Property of Imuthiol

Chemical Property:

• Appearance/Colour: Odorless white or slightly brown or slightly pink crystals
• Vapor Pressure: 0Pa at 20℃
• Melting Point: 95 °C
• Boiling Point: 176.4 °C at 760 mmHg
• Flash Point: 60.5 °C
• PSA: 60.63000
• Density: 1.086 g/cm³
• LogP: 1.81060
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: about 35 % in water, less soluble in organic solvents. However, the free acid, diethyldithiocarbamic acid, is readily soluble in organic solvents and less soluble in water. Thus, on acidification of an aqueous solution of a diethyldithiocarbamate, the free acid can be extracted with chloroform or carbon tetrachloride. The distribution ratio is 2,360 for chloroform and 343 for carbon tetrachloride.
• Water Solubility.: >=10 g/100 mL at 14 ºC
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.02306098
• Heavy Atom Count: 9
• Complexity: 78.5

Purity/Quality:

20-28% ^*data from raw suppliers

Sodium N- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)C(=S)S.[Na]
• Uses: Sodium diethyldithiocarbamate reacts with even more metal ions than does dithizone. However, its analytical application is seriously limited by its considerably lower stability in acidic aqueous media. According to the examinations of Bode,the reagent undergoes considerable decomposition within 5 minutes at pH 5. The analytical application of the reagent is therefore restricted to a very narrow pH range. There is no chance with this reagent to enhance the analytical selectivity of extractions by making use of the difference between the stabilities of its complexes with various metal ions and to choose the pH of the reaction mixture accordingly. Sodium diethyldithiocarbamate is an organic molecular entity. It is an inhibitor of superoxide dismutase, having both antioxidant and oxidant effects.

Technology Process of Imuthiol

There total 8 articles about Imuthiol 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: 90.0%

carbon disulfide (75-15-0,12122-00-8) + diethylamine (109-89-7) → sodium N,N-diethyldithiocarbamate (148-18-5)

Guidance literature:

With sodium hydroxide; In ethanol; water; cooling;

DOI:10.1007/s10870-005-9060-6

Reference yield:

sodium O-ethyl dithiocarbonate (140-90-9) + C8H15NOS4 (327989-09-3) → bis-ethoxythiocarbonyldisulfane (502-55-6) + sodium N,N-diethyldithiocarbamate (148-18-5)

Guidance literature:

With sodium nitrate; C₈MoN₈^(3-)*3Na⁽¹⁺⁾; In water; acetone; at 25 ℃; Rate constant; Equilibrium constant; μ 0.2 mol/l;

Reference yield:

Tributyltin diethyldithiocarbamate (138523-63-4) → sodium N,N-diethyldithiocarbamate (148-18-5)

Guidance literature:

With sodium hydrogensulfide; In methanol; at 4 ℃;

DOI:10.1021/jo00084a046

upstream raw materials:

disulfiram

sodium O-ethyl dithiocarbonate

sodium N,N'-diisopropyldithiocarbamate

C₈H₁₅NOS₄

Downstream raw materials:

sulfallate

tetraethylthiuram monosulfide

diethyldithiocarbamic acid 2-cyanoethyl ester

2-hydroxyethyl diethyldithiocarbamate

Refernces

• 1、 Wang, Ming-Ming,Chu, Wen-Chao,Yang, Yi,Yang, Qian-Qian,Qin, Shang-Shang,Zhang, En. "Dithiocarbamates: Efficient metallo-β-lactamase inhibitors with good antibacterial activity when combined with meropenem". . p. 3436 - 3440. Retrieved 2018.
• 2、 Shockravi, Abbas,Kamali, Mahmood,Halimehjani, Azim Ziyaei,Jafari, Reza. "Synthesis and dynamic NMR studies of some new symmetrical podands of dithiocarbamates formed from Bis(N-thiazol)chloroacetamides". . p. 209 - 215. Retrieved 2013.
• 3、 Costa Júnior,Versiane,Faget Ondar,Ramos,Ferreira, Glaucio B.,Martin,Téllez Soto. "An experimental and theoretical approach of spectroscopic and structural properties of the bis(diethyldithiocarbamate)-cobalt(II)". . p. 119 - 134. Retrieved 2012.
• 4、 Gowda, Vasantha,Sarma, Bipul,?berg, Sven,Telkki, Ville-Veikko,Larsson, Anna-Carin,Lantto, Perttu,Antzutkin, Oleg N.. "Structure Elucidation of an Yttrium Diethyldithiocarbamato-Phenanthroline Complex by X-ray Crystallography, Solid-State NMR, and ab-initio Quantum Chemical Calculations". . p. 3278 - 3291. Retrieved 2016.