Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt

Base Information

• Chemical Name: Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt
• CAS No.: 871-67-0
• Molecular Formula: C₈H₁₄N₂S₄*2Na
• Molecular Weight: 312.456
• DSSTox Substance ID: DTXSID1061231
• Mol file: 871-67-0.mol

Synonyms:Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt;871-67-0;Hexamethylenebis(dithiocarbamic acid) disodium salt;CARBAMIC ACID, HEXAMETHYLENEBIS(DITHIO-, DISODIUM SALT;Carbamodithioic acid, N,N'-1,6-hexanediylbis-, sodium salt (1:2);C8H14N2S4.2Na;SCHEMBL9019655;DTXSID1061231;C8-H16-N2-S4.2Na;LS-49858

Chemical Property of Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt

Chemical Property:

• Vapor Pressure: 9.38E-06mmHg at 25°C
• Boiling Point: 372.8°C at 760 mmHg
• Flash Point: 179.3°C
• PSA: 102.32000
• LogP: 2.21220
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 311.98352171
• Heavy Atom Count: 16
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCNC(=S)[S-])CCNC(=S)[S-].[Na+].[Na+]

Technology Process of Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt

There total 2 articles about Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt 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: 79.0%

carbon disulfide (75-15-0,12122-00-8) + 1,6-Hexanediamine (124-09-4) → disodium hexamethylenetetrathiocarbamate (871-67-0,13036-90-3,92876-33-0)

Guidance literature:

With sodium hydroxide; In water; at 0 ℃;

DOI:10.1016/j.ica.2013.09.014

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 1,6-Hexanediamine (124-09-4) + ethoxylated pentaerythitol tetraacrylate (125634-77-7,51728-26-8) → C57H92N8O12S16(8-)*8Na(1+) + disodium hexamethylenetetrathiocarbamate (871-67-0,13036-90-3,92876-33-0)

Guidance literature:

1,6-Hexanediamine; ethoxylated pentaerythitol tetraacrylate; In ethanol; at 20 - 24 ℃; for 32h; Inert atmosphere;

carbon disulfide; With sodium hydroxide; In ethanol; water; at 20 - 25 ℃; for 5h; Inert atmosphere;

Reference yield: 47.0%

disodium hexamethylenetetrathiocarbamate (871-67-0,13036-90-3,92876-33-0) + hydrazine hydrate (7803-57-8,79785-97-0) → N,N'-(hexane-1,6-diyl)bis(hydrazinecarbothioamide) (56473-15-5)

Guidance literature:

In water; at 50 ℃; for 12h; Reflux;

DOI:10.1016/j.ica.2013.09.014

upstream raw materials:

carbon disulfide

1,6-Hexanediamine

ethoxylated pentaerythitol tetraacrylate

Downstream raw materials:

N,N'-(hexane-1,6-diyl)bis(hydrazinecarbothioamide)

Refernces

• 1、 -. "Hexamethylenetetrathiocarbamic acid or salt thereof, method for producing same, and solution containing the hexamethylenetetrathiocarbamic acid or salt thereof". Paragraph 0028-0033; 0040-0045; 0052-0059. . Retrieved 2019/12/02.