Guanidin-ium-isothiocyanate

Base Information

• Chemical Name: Guanidin-ium-isothiocyanate
• CAS No.: 593-84-0
• Molecular Formula: C2H6N4S
• Molecular Weight: 118.162
• Hs Code.: 29252000
• Mol file: 593-84-0.mol

Synonyms:guanidin-ium-isothiocyanate;salt guanidinium thiocyanate;SCHEMBL56026

Chemical Property of Guanidin-ium-isothiocyanate

Chemical Property:

• Appearance/Colour: White cryst. powder
• Vapor Pressure: 0.00206mmHg at 25°C
• Melting Point: 120-122 °C(lit.)
• Refractive Index: n20/D 1.482
• Boiling Point: 132.9 °C at 760 mmHg
• PKA: 12.5[at 20 ℃]
• Flash Point: 34.2 °C
• PSA: 138.48000
• Density: 1.103 g/mL at 20 °C
• LogP: 0.73618
• Storage Temp.: Store at RT.
• Sensitive.: Light Sensitive
• Solubility.: H2O: 6 M at 20 °C, clear, colorless
• Water Solubility.: Soluble in water and ethanol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.03131738
• Heavy Atom Count: 7
• Complexity: 50.1

Purity/Quality:

99.5%, ^*data from raw suppliers

Guanidine Thiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T
• Hazard Codes: Xn,T,C
• Statements: 20/21/22-32-52/53-36/37/38-34
• Safety Statements: 36/37-61-13-36-26-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(#N)[S-].C(=[NH2+])(N)N
• General Description: Guanidine thiocyanate (also known as isothiocyanic acid, compd. with guanidine (1:1)) is a chemical compound studied for its transport behavior through immobilized liquid membranes, particularly in the presence of crown ethers. Research indicates that its transport efficiency is influenced by the lipophilicity of crown ethers, with more lipophilic variants enhancing flux and membrane stability. The process involves diffusion-limited transport, where partition coefficients and complexation constants play critical roles, and dynamic complexation-decomplexation occurs during diffusion.

Technology Process of Guanidin-ium-isothiocyanate

There total 19 articles about Guanidin-ium-isothiocyanate 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%

ammonium thiocyanate + dicyandiamide (127099-85-8,780722-26-1) → guanidinium thiocyanate (593-84-0,5341-59-3)

Guidance literature:

In melt; 55 part of dicyanodiamide reacted with 100 part of NH4SCN;

Reference yield:

ammonium thiocyanate → guanidinium thiocyanate (593-84-0,5341-59-3)

Guidance literature:

heating over temp. of formation of (NH4)2CS;

Reference yield:

ammonium thiocyanate → ammonium salt of trithiocarbonic acid + guanidinium thiocyanate (593-84-0,5341-59-3)

Guidance literature:

In neat (no solvent); heating to 160-185°C;

upstream raw materials:

2,4,6-triamino-s-triazine

ammonium thiocyanate

CYANAMID

N-Cyanoguanidine

Downstream raw materials:

N,N'''-1,10-decanediylbisguanidine

N-carbamimidoyl-N'-phenethyl-thiourea

(4-nitro-benzoyl)-guanidine

nitroguanidine

Refernces

Effect of Crown Ether Lipophilicity on the Facilitated Transport of Guanidinium Thiocyanate through an Immobilized Liquid Membrane

10.1021/ja00198a050

The research investigates the effect of crown ether lipophilicity on the facilitated transport of guanidinium thiocyanate through an immobilized liquid membrane. The study aims to understand how the water solubility and lipophilicity of crown ethers influence the transport efficiency and membrane stability. Key chemicals used include substituted benzo crown ethers and dibenzo crown ethers, guanidinium thiocyanate, and o-nitrophenyl octyl ether (NPOE) as the membrane phase solvent. The researchers found that more lipophilic crown ethers resulted in higher flux and more stable membranes. They developed a thermodynamic model to interpret the observed fluxes, accounting for partition coefficients and complexation constants. The study concludes that both the partition coefficient of the crown ether and the complexation constant significantly affect the transport rate, and the transport process is diffusion-limited with continuous complexation and decomplexation occurring during diffusion through the membrane.

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