Thiourea, N-ethyl-N-phenyl-

Base Information

• Chemical Name: Thiourea, N-ethyl-N-phenyl-
• CAS No.: 3955-58-6
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.274
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID9063243
• Nikkaji Number: J166.110H
• ChEMBL ID: CHEMBL1305862
• Mol file: 3955-58-6.mol

Synonyms:1-ethyl-1-phenylthiourea;3955-58-6;N-ethyl-N-phenylthiourea;Thiourea, N-ethyl-N-phenyl-;Thiourea, ethylphenyl-;amino(ethylphenylamino)methane-1-thione;MLS000545664;EPTU;phenyl ethyl thiourea;SCHEMBL145553;1-ethyl-1-phenyl-2-thiourea;CHEMBL1305862;DTXSID9063243;2-Thiourea, 1-ethyl-1-phenyl-;HMS2278D15;MFCD01925205;AKOS000138107;N-Ethyl-N-phenylcarbamimidothioic acid;NCGC00247078-01;MS-10627;SMR000162732;FT-0686792;AE-484/30082040

Chemical Property of Thiourea, N-ethyl-N-phenyl-

Chemical Property:

• Appearance/Colour: white adhering powder
• Vapor Pressure: 0.00321mmHg at 25°C
• Melting Point: 133-137 °C
• Refractive Index: 1.655
• Boiling Point: 283.2 °C at 760 mmHg
• Flash Point: 125.1 °C
• PSA: 56.15000
• Density: 1.181 g/cm³
• LogP: 2.45680
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99.3% ^*data from raw suppliers

1-ETHYL-3-PHENYL-2-THIOUREA AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Thiourea, N-ethyl-N-phenyl-

There total 9 articles about Thiourea, N-ethyl-N-phenyl- 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: 94.0%

potassium thioacyanate (333-20-0) + N-ethyl-N-phenylamine (103-69-5) → N-ethyl-N-phenylthiourea (3955-58-6)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1080/00397911.2014.951897

Reference yield: 65.0%

N-ethyl-N-phenylamine (103-69-5) + thiourea (17356-08-0) → N-ethyl-N-phenylthiourea (3955-58-6)

Guidance literature:

With choline chloride; tin(ll) chloride; at 130 ℃; for 8h; Green chemistry;

DOI:10.1039/d1nj01827b

Reference yield:

potassium thioacyanate (333-20-0) + N-ethylaniline hydrochloride (4348-19-0) → N-ethyl-N-phenylthiourea (3955-58-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja010659k

upstream raw materials:

1-ethyl-1-phenyl-dithiobiuret

N'-benzoyl-N-ethyl-N-phenylthiourea

N-Aethyl-N-phenyl-N'-(tert.-butyl)-thioharnstoff

triphenylphosphine-thiocyanogen

Downstream raw materials:

[2-(N-ethyl-anilino)-4-phenyl-thiazol-5-yl]-phenyl-methanone

S-diisophor-2⁽⁷⁾-en-1-yl-N-ethyl-N-phenylisothiourea

C₁₇H₁₇N₃O₂S₃

2,2'-azino-bis(3-ethylbenzothiazoline)

Refernces

• 1、 Bagherzadeh, Nastaran,Sardarian, Ali Reza,Inaloo, Iman Dindarloo. "Green and efficient synthesis of thioureas, ureas, primary: O -thiocarbamates, and carbamates in deep eutectic solvent/catalyst systems using thiourea and urea". supporting information. p. 11852 - 11858. Retrieved 2021/07/12.
• 2、 Chen, Junmin,Zhou, Xiaomeng,Yuan, Tangjun. "Highly efficient and practical method for synthesis of 2,2′-Azino-bis(3-ethyl-benzothiazoline-6-sulfonic Acid) (ABTS) and its diammonium salt". . p. 3630 - 3636. Retrieved 2015/08/11.