1,1-Diethylthiourea

Base Information

• Chemical Name: 1,1-Diethylthiourea
• CAS No.: 7204-46-8
• Molecular Formula: C5H12N2S
• Molecular Weight: 132.23
• Hs Code.: 2930909090
• European Community (EC) Number: 838-195-7
• NSC Number: 520477
• UNII: 11C3P5I496
• DSSTox Substance ID: DTXSID20870449
• Nikkaji Number: J81.349D
• Mol file: 7204-46-8.mol

Synonyms:diethylthiourea

Chemical Property of 1,1-Diethylthiourea

Chemical Property:

• Vapor Pressure: 0.602mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 188.3 °C at 760 mmHg
• Flash Point: 67.7 °C
• PSA: 61.35000
• Density: 1.041 g/cm³
• LogP: 1.27210
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.07211956
• Heavy Atom Count: 8
• Complexity: 78.5

Purity/Quality:

99.5% ^*data from raw suppliers

1,1-diethylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)N

Technology Process of 1,1-Diethylthiourea

There total 15 articles about 1,1-Diethylthiourea 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: 92.0%

N,N-Diethyl-1H-benzotriazole-1-carboximidamide (351425-47-3) → 1,1-diethylthiourea (7204-46-8)

Guidance literature:

With hydrogen sulfide; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1055/s-2004-829127

Reference yield: 89.0%

N,N-diethyl-N'-benzoyl-thiourea (58328-36-2) → 1,1-diethylthiourea (7204-46-8)

Guidance literature:

With hydrazine; at 25 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2005.06.135

Reference yield: 66.0%

sodium thiocyanate + chloroformic acid ethyl ester (541-41-3) + diethylamine (109-89-7) → 1,1-diethylthiourea (7204-46-8)

Guidance literature:

sodium thiocyanate; chloroformic acid ethyl ester; With pyridine; In acetonitrile; at 5 - 20 ℃; Inert atmosphere;

diethylamine; In acetonitrile; at 5 - 20 ℃; Inert atmosphere;

With hydrazine hydrate; In water; at 50 ℃; for 4h; Inert atmosphere;

upstream raw materials:

Diethylcyanamide

diethylammonium thiocyanate

N,N-Diethyl-N'-tert.-butyl-thioharnstoff

triphenylphosphine-thiocyanogen

Downstream raw materials:

carbon oxide sulfide

2-diethylamino-4-phenylthiazole

2,6-dipicolinoylbis(N,N-diethylthiourea)

(R)-N-(1-(2-(diethylamino)thiazol-5-yl)heptyl)-4-methylbenzenesulfonamide

Refernces

• 1、 -. "Compound and color filter". Paragraph 0126; 0127. . Retrieved 2018/12/14.
• 2、 -. "COLORED CURABLE COMPOSITION, COLOR RESIST, INK-JET INK, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, SOLID-STATE IMAGE PICKUP DEVICE, IMAGE DISPLAY DEVICE, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, AND COLORANT COMPOUND AND TAUTOMER THEREOF". Page/Page column 118-119. . Retrieved 2010/12/29.