N-Phenyl-N'-3-hydroxyphenylthiourea

Base Information

• Chemical Name: N-Phenyl-N'-3-hydroxyphenylthiourea
• CAS No.: 17073-35-7
• Molecular Formula: C₁₃H₁₂N₂OS
• Molecular Weight: 244.317
• Hs Code.: 2930909090
• European Community (EC) Number: 665-880-6
• NSC Number: 105171
• DSSTox Substance ID: DTXSID80168935
• Nikkaji Number: J33.957A
• ChEMBL ID: CHEMBL273365
• Mol file: 17073-35-7.mol

Synonyms:N-phenyl-N'-3-hydroxyphenylthiourea;PTU 23;PTU-23

Chemical Property of N-Phenyl-N'-3-hydroxyphenylthiourea

Chemical Property:

• Vapor Pressure: 4.37E-07mmHg at 25°C
• Boiling Point: 403.4°C at 760 mmHg
• Flash Point: 197.8°C
• PSA: 76.38000
• Density: 1.386g/cm³
• LogP: 3.34710
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.06703418
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(3-HYDROXYPHENYL)-3-PHENYL-2-THIOUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-Phenyl-N'-3-hydroxyphenylthiourea

There total 3 articles about N-Phenyl-N'-3-hydroxyphenylthiourea 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:

3-aminobenzenesulfonic acid (121-47-1) → N-phenyl-N'-3-hydroxyphenylthiourea (17073-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH; water / 280 - 290 °C

2: alcohol

With sodium hydroxide; ethanol; water;

Reference yield:

phenyl isothiocyanate (103-72-0) + m-Hydroxyaniline (591-27-5) → N-phenyl-N'-3-hydroxyphenylthiourea (17073-35-7)

Guidance literature:

With ethanol;

Reference yield:

ethanol (64-17-5) + phenyl isothiocyanate (103-72-0) + m-Hydroxyaniline (591-27-5) → N-phenyl-N'-3-hydroxyphenylthiourea (17073-35-7)

Guidance literature:

upstream raw materials:

ethanol

phenyl isothiocyanate

m-Hydroxyaniline

3-aminobenzenesulfonic acid