3-Benzoyl-1-(p-hydroxyphenyl)-2-thiourea

Base Information

• Chemical Name: 3-Benzoyl-1-(p-hydroxyphenyl)-2-thiourea
• CAS No.: 5461-34-7
• Molecular Formula: C14H12N2O2S
• Molecular Weight: 272.327
• Hs Code.: 2930909090
• NSC Number: 5818
• DSSTox Substance ID: DTXSID70969872
• Nikkaji Number: J49.075J
• ChEMBL ID: CHEMBL4471739
• Mol file: 5461-34-7.mol

Synonyms:USAF K-1481;5461-34-7;3-Benzoyl-1-(p-hydroxyphenyl)-2-thiourea;NSC 5818;Urea, 1-benzoyl-3-(p-hydroxyphenyl)-2-thio-;BRN 3351926;3-13-00-01093 (Beilstein Handbook Reference);Benzamide, N-(((4-hydroxyphenyl)amino)thioxomethyl)-;Benzamide, N-[[(4-hydroxyphenyl)amino]thioxomethyl]-;n-[(4-hydroxyphenyl)carbamothioyl]benzamide;NSC5818;WLN: QR DMYUS&MVR;CHEMBL4471739;DTXSID70969872;NSC-5818;AKOS003422795;1-(2-hydroxy)phenyl-3-benzoyl-thiourea;N-(4-Hydroxypheylcarbamothioyl)benzamide;LS-158920;1-BENZOYL-3-(4-HYDROXYPHENYL)THIOUREA;SR-01000234535;SR-01000234535-1;N-[(4-Hydroxyphenyl)carbamothioyl]benzenecarboximidic acid

Chemical Property of 3-Benzoyl-1-(p-hydroxyphenyl)-2-thiourea

Chemical Property:

• Melting Point: 154 °C
• Boiling Point: °Cat760mmHg
• PKA: 8.96±0.70(Predicted)
• Flash Point: °C
• PSA: 93.45000
• Density: 1.382g/cm³
• LogP: 2.98290
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.06194880
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Benzoyl-1-(p-hydroxyphenyl)-2-thiourea

There total 6 articles about 3-Benzoyl-1-(p-hydroxyphenyl)-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-amino-phenol (123-30-8) + Benzoyl isothiocyanate (532-55-8) → N1-Benzoyl-N2-<4-hydroxyphenyl>thiourea (5461-34-7)

Guidance literature:

In acetone; for 0.5h; Heating;

DOI:10.1055/s-1988-27605

Reference yield: 91.0%

ammonium thiocyanate (1147550-11-5) + 4-amino-phenol (123-30-8) + benzoyl chloride (98-88-4) → N1-Benzoyl-N2-<4-hydroxyphenyl>thiourea (5461-34-7)

Guidance literature:

ammonium thiocyanate; benzoyl chloride; With PEG-400; In dichloromethane; at 20 ℃; for 1h;

4-amino-phenol; In dichloromethane; for 2h;

DOI:10.1081/SCC-100105882

Reference yield:

benzoyl isothiocyanate (45943-14-4) + 4-amino-phenol (123-30-8) → N1-Benzoyl-N2-<4-hydroxyphenyl>thiourea (5461-34-7)

Guidance literature:

In water; acetonitrile; for 3h; Solvent; Sonication;

DOI:10.1080/00958972.2014.982551

upstream raw materials:

4-amino-phenol

Benzoyl isothiocyanate

ammonium thiocyanate

benzoyl chloride

Downstream raw materials:

1-(4-hydroxyphenyl)thiourea

N-(4-hydroxyphenyl)-4-(4-bromophenyl)-1,3-thiazole-2-amine

4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol hydrobromide

N-(4-hydroxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-2-amine