Carbanilide, 4-methylthio-

Base Information

• Chemical Name: Carbanilide, 4-methylthio-
• CAS No.: 1145-66-0
• Molecular Formula: C14H14 N2 S
• Molecular Weight: 242.345
• European Community (EC) Number: 661-814-5
• NSC Number: 131960
• DSSTox Substance ID: DTXSID50357516
• Nikkaji Number: J1.237.778I
• ChEMBL ID: CHEMBL1910057
• Mol file: 1145-66-0.mol

Synonyms:Carbanilide, 4-methylthio-;1-(4-methylphenyl)-3-phenylthiourea;1145-66-0;1-Phenyl-3-p-tolylthiourea;N-Phenyl-N'-p-tolylthiourea;Thiourea, N-(4-methylphenyl)-N'-phenyl-;CHEMBL1910057;Urea, 1-phenyl-2-thio-3-(p-tolyl)-;NSC131960;N-(4-Methylphenyl)-N'-phenylthiourea;WLN: SUYMR&MR D1;1-Phenyl-3-(p-tolyl)thiourea;SCHEMBL5451731;DTXSID50357516;NZPBFKQKPZEPED-UHFFFAOYSA-N;1-phenyl-3-(p-tolyl)-2-thiourea;BDBM50356175;STK073657;AKOS000489500;NSC-131960;N-(4-Methylphenyl)-N'-phenylthiourea #;3-(4-METHYLPHENYL)-1-PHENYLTHIOUREA

Chemical Property of Carbanilide, 4-methylthio-

Chemical Property:

• Vapor Pressure: 1.79E-05mmHg at 25°C
• Boiling Point: 363.5°Cat760mmHg
• Flash Point: 173.7°C
• Density: 1.249g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.08776963
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2

Technology Process of Carbanilide, 4-methylthio-

There total 32 articles about Carbanilide, 4-methylthio- 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%

p-toluidine (106-49-0,12221-03-3) + phenyl isothiocyanate (103-72-0) → 1-(4-methylphenyl)-3-phenylthiourea (1145-66-0)

Guidance literature:

In acetonitrile; at 25 ℃; for 0.166667h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 97.0%

aniline (62-53-3) + 1-isothiocyanato-4-methylbenzene (622-59-3) → 1-(4-methylphenyl)-3-phenylthiourea (1145-66-0)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.166667h; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.202100932

Reference yield: 94.0%

carbon disulfide (75-15-0,12122-00-8) + p-toluidine (106-49-0,12221-03-3) + aniline (62-53-3) → 1-(4-methylphenyl)-3-phenylthiourea (1145-66-0)

Guidance literature:

carbon disulfide; p-toluidine; With potassium hydroxide; at 20 ℃; for 0.666667h; Milling; Green chemistry;

aniline; at 20 ℃; for 0.666667h; Milling; Green chemistry;

DOI:10.1039/c3ra43252a

upstream raw materials:

ethanol

N-phenyl-N'-(4-methylphenyl)carbodiimide

aniline

1-isothiocyanato-4-methylbenzene

Downstream raw materials:

phenyl-(3-p-tolyl-thiazolidin-2-ylidene)-amine

N,N'-diphenyl-N''-p-tolyl-guanidine

p-toluidine

N,N-diphenylthiourea

Refernces

• 1、 Rodríguez-Huerto, Paula A.,Pe?a-Solórzano, Diana,Ochoa-Puentes, Cristian. "Nitroarenes as versatile building blocks for the synthesis of unsymmetrical urea derivatives and N-Arylmethyl-2-substituted benzimidazoles". . p. 6275 - 6283. Retrieved 2021/07/29.
• 2、 Basel, Siddhant,Bhardwaj, Karishma,Borthakur, Sukanya,Brito, Beatriz,Clarke, Mitchell,Pariyar, Anand,Pradhan, Sajan,Roy, Pankaj,Saikia, Lakshi,Shankar, Amit,Stasiuk, Graeme J.,Tamang, Sudarsan,Thapa, Surakcha. "Tunable NIR-II emitting silver chalcogenide quantum dots using thio/selenourea precursors: Preparation of an MRI/NIR-II multimodal imaging agent". supporting information. p. 15425 - 15432. Retrieved 2020/11/18.