4-(Phenylthio)aniline

Base Information

• Chemical Name: 4-(Phenylthio)aniline
• CAS No.: 1135-14-4
• Molecular Formula: C12H11 N S
• Molecular Weight: 201.292
• Hs Code.: 2930909090
• European Community (EC) Number: 601-260-3
• NSC Number: 51015
• DSSTox Substance ID: DTXSID10150424
• Nikkaji Number: J80.193C
• Wikidata: Q83016513
• ChEMBL ID: CHEMBL170030
• Mol file: 1135-14-4.mol

Synonyms:4-(Phenylthio)aniline;1135-14-4;4-(phenylsulfanyl)aniline;4-phenylsulfanylaniline;4-aminodiphenylsulfide;4-Aminodiphenyl thioether;Benzenamine, 4-(phenylthio)-;4-Aminodiphenyl sulfide;p-(Phenylthio)aniline;4-(Phenylthio)phenylamine;4-Phenylsulfanyl-phenylamine;p-Aminophenyl phenyl sulfide;CCRIS 3893;BRN 1869503;Aniline, p-(phenylthio)- (6CI,7CI,8CI);4-13-00-01291 (Beilstein Handbook Reference);4-phenylthioaniline;aminodiphenyl sulfide;p-(Phenylmercapto)aniline;Aniline, p-(phenylthio)-;SCHEMBL202221;CHEMBL170030;(4-phenylsulfanyl-phenyl)-amine;DTXSID10150424;NSC51015;BBL038027;MFCD00094027;NSC 51015;NSC-51015;STK346925;AKOS000215525;SB77686;SS-2399;LS-28420;CS-0196514;FT-0681253;EN300-229865;N11846;A894356;J-002974;J-513815

Chemical Property of 4-(Phenylthio)aniline

Chemical Property:

• Vapor Pressure: 5.97E-06mmHg at 25°C
• Melting Point: 95.85°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 379.2°C at 760 mmHg
• PKA: 3.80±0.10(Predicted)
• Flash Point: 183.1°C
• PSA: 51.32000
• Density: 1.19g/cm³
• LogP: 4.00120
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.06122053
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

4-(Phenylthio)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)N

Technology Process of 4-(Phenylthio)aniline

There total 48 articles about 4-(Phenylthio)aniline 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%

thiophenol (108-98-5) + p-aminoiodobenzene (540-37-4) → 4-aminophenyl phenyl sulfide (1135-14-4)

Guidance literature:

thiophenol; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

p-aminoiodobenzene; With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l); In tetrahydrofuran; toluene; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1002/anie.201806036

Reference yield: 99.0%

phenylhydrazine (100-63-0) + 4-aminotiophenol (1193-02-8) → 4-aminophenyl phenyl sulfide (1135-14-4)

Guidance literature:

With copper(II) nitrate trihydrate; 4,7-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-1,10-phenanthroline; oxygen; caesium carbonate; In water; at 100 ℃; for 12h; under 760.051 Torr; chemoselective reaction; Schlenk technique; Green chemistry;

DOI:10.1021/acs.joc.9b00451

Reference yield: 99.0%

iodobenzene (591-50-4) + 4-aminotiophenol (1193-02-8) → 4-aminophenyl phenyl sulfide (1135-14-4)

Guidance literature:

With 1,2,3,4-tetrahydroquinolin-8-ol; potassium carbonate; copper(I) bromide; In dimethyl sulfoxide; at 80 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2009.09.085

upstream raw materials:

4-nitrophenyl phenyl sulfide

4-(benzenesulfinyl)aniline

copper(I) thiophenolate

4-chloro-aniline

Downstream raw materials:

3-[2]furyl-3-oxo-propionic acid-(4-phenylsulfanyl-anilide)

(4-phenylsulfanyl-phenyl)-thiourea

4-phenylsulfanylphenol

N,N-dimethyl-4-(phenylthio)aniline