N'-Benzoyl-N,N-diethylthiourea

Base Information

• Chemical Name: N'-Benzoyl-N,N-diethylthiourea
• CAS No.: 58328-36-2
• Molecular Formula: C12H16N2OS
• Molecular Weight: 236.338
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID80350914
• Nikkaji Number: J435.874K
• Wikidata: Q82126990
• Mol file: 58328-36-2.mol

Synonyms:N'-Benzoyl-N,N-diethylthiourea;58328-36-2;N-(diethylcarbamothioyl)benzamide;n,n-diethyl-n'-benzoylthiourea;SCHEMBL5451660;DTXSID80350914;HMS1775N21;AC6401;MFCD00210013;N-BENZOYL-N,N-DIETHYLTHIOUREA;STK947880;AKOS001025668;SY033668;CS-0331711;AB00087660-01;A923197;SR-01000211691;SR-01000211691-1;Z56064885;N inverted exclamation mark -Benzoyl-N,N-diethylthiourea

Chemical Property of N'-Benzoyl-N,N-diethylthiourea

Chemical Property:

• Melting Point: 98-102 °C
• PSA: 64.43000
• LogP: 2.43400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.09833431
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

N'-Benzoyl-N,N-diethylthiourea ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)NC(=O)C1=CC=CC=C1

Technology Process of N'-Benzoyl-N,N-diethylthiourea

There total 6 articles about N'-Benzoyl-N,N-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: 99.0%

diethylamine (109-89-7) + Benzoyl isothiocyanate (532-55-8) → N,N-diethyl-N'-benzoyl-thiourea (58328-36-2)

Guidance literature:

In dichloromethane; at 5 ℃; Inert atmosphere;

Reference yield: 87.0%

benzoyl chloride (98-88-4) + diethylamine (109-89-7) → N,N-diethyl-N'-benzoyl-thiourea (58328-36-2)

Guidance literature:

benzoyl chloride; With potassium thioacyanate; In acetone; at 50 ℃; for 0.75h;

diethylamine; In acetone; at 35 ℃; for 1.5h;

DOI:10.1016/j.ica.2014.01.044

Reference yield: 77.0%

N-[1-Benzotriazol-1-yl-1-diethylamino-meth-(Z)-ylidene]-benzamide → N,N-diethyl-N'-benzoyl-thiourea (58328-36-2)

Guidance literature:

With hydrogen sulfide; In acetic acid; at 20 ℃;

DOI:10.1055/s-2004-829127

upstream raw materials:

diethylamine

Benzoyl isothiocyanate

potassium thioacyanate

benzoyl chloride

Downstream raw materials:

N-benzoyl-N'-benzylthiourea

tetrakis[N,N-diethyl-N'-benzoylthioureato-silver(I)]

[2-(diethylamino)-4-phenyl-1,3-thiazol-5-yl](phenyl)methanone

cis-bis-(3,3-diethyl-1-benzoylthioureato)nickel(II)

Refernces

• 1、 Salsi, Federico,Bulh?es Portapilla, Gisele,Schutjajew, Konstantin,Carneiro, Zumira Aparecida,Hagenbach, Adelheid,de Albuquerque, Sérgio,da Silva Maia, Pedro Ivo,Abram, Ulrich. "Thiosemicarbazones and thiadiazines derived from fluorinated benzoylthioureas: Synthesis, crystal structure and anti-Trypanosoma cruzi activity". . p. 52 - 61. Retrieved 2018/10/15.
• 2、 Plutín, Ana M.,Alvarez, Anislay,Mocelo, Raúl,Ramos, Raúl,Castellano, Eduardo E.,Da Silva, Monize M.,Colina-Vegas, Legna,Pavan, Fernando R.,Batista, Alzir A.. "Anti-Mycobacterium tuberculosis activity of platinum(II)/N,N-disubstituted-N′-acyl thiourea complexes". . p. 74 - 80. Retrieved 2015/12/18.