1-(4-Chlorophenyl)-3-phenyl-2-thiourea

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-phenyl-2-thiourea
• CAS No.: 7392-67-8
• Molecular Formula: C13H11 Cl N2 S
• Molecular Weight: 262.763
• Hs Code.: 2930909090
• European Community (EC) Number: 665-878-5
• DSSTox Substance ID: DTXSID30357493
• Nikkaji Number: J1.426.975D
• ChEMBL ID: CHEMBL1910058
• Mol file: 7392-67-8.mol

Synonyms:7392-67-8;1-(4-chlorophenyl)-3-phenylthiourea;1-(4-Chlorophenyl)-3-phenyl-2-thiourea;N-(4-Chlorophenyl)-N'-phenylthiourea;CHEMBL1910058;Thiourea,N-(4-chlorophenyl)-N'-phenyl-;CBMicro_023311;SCHEMBL5081276;DTXSID30357493;XYAKDKSYCSTBMN-UHFFFAOYSA-N;BDBM50356176;CCG-10682;MFCD00022116;STK018078;AKOS000485121;1-(4-chlo-rophenyl)-3-phenylthiourea;1-(4-chlorophenyl)-3-phenyl-thiourea;1-(p-Chlorophenyl)-3-phenyl-2-thiourea;N-(4-Chlorophenyl)-N'-phenylthiourea #;4-HYDRAZINO-BENZOICACIDETHYLESTERHCL;BIM-0023257.P001;3-(4-CHLOROPHENYL)-1-PHENYLTHIOUREA;CS-0319475;FT-0682074;A837968

Chemical Property of 1-(4-Chlorophenyl)-3-phenyl-2-thiourea

Chemical Property:

• Vapor Pressure: 7.66E-06mmHg at 25°C
• Melting Point: 152oC
• Boiling Point: 375.7°C at 760 mmHg
• PKA: 12.14±0.70(Predicted)
• Flash Point: 181°C
• PSA: 56.15000
• Density: 1.385g/cm³
• LogP: 4.29490
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 262.0331472
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)-3-phenyl-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)-3-phenyl-2-thiourea

There total 14 articles about 1-(4-Chlorophenyl)-3-phenyl-2-thiourea 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%

4-chloro-aniline (106-47-8) + phenyl isothiocyanate (103-72-0) → 1-(4-chlorophenyl)-3-phenylthiourea (7392-67-8)

Guidance literature:

In neat (no solvent); at 25 ℃; for 0.25h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 99.0%

((4-chlorophenyl)amino)phenoxymethane-1-thione (2541-62-0) + aniline (62-53-3) → 1-(4-chlorophenyl)-3-phenylthiourea (7392-67-8)

Guidance literature:

In water; at 100 ℃; for 0.5h; Green chemistry;

DOI:10.3184/174751916X14760947474916

Reference yield: 96.0%

4-Chlorophenyl isothiocyanate (2131-55-7) + aniline (62-53-3) → 1-(4-chlorophenyl)-3-phenylthiourea (7392-67-8)

Guidance literature:

In toluene; at 20 ℃; for 0.166667h; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.202100932

upstream raw materials:

4-chloro-aniline

phenyl isothiocyanate

4-Chlorophenyl isothiocyanate

aniline

Downstream raw materials:

3-(4-chloro-phenyl)-5-phenyl-[1,3,5]thiadiazinane-4-thione

2-(4-chloro-phenylimino)-5-methyl-3-phenyl-thiazolidin-4-one

4-Chlorophenyl isothiocyanate

N-(4-chlorophenyl)-N'-phenylurea