Carbanilide, N-benzylthio-

Base Information

• Chemical Name: Carbanilide, N-benzylthio-
• CAS No.: 3053-39-2
• Molecular Formula: C20H18 N2 S
• Molecular Weight: 318.442
• Hs Code.: 2930909090
• NSC Number: 131977
• DSSTox Substance ID: DTXSID10398066
• Nikkaji Number: J143.289C
• ChEMBL ID: CHEMBL1985225
• Mol file: 3053-39-2.mol

Synonyms:Carbanilide, N-benzylthio-;3053-39-2;1-benzyl-1,3-diphenylthiourea;N,N'-Diphenyl-N-benzylthiourea;NSC131977;N-Benzylthiocarbanilido;CHEMBL1985225;DTXSID10398066;ZDBPEGOAAIRGTO-UHFFFAOYSA-N;N-Benzyl-N,N'-diphenylthiourea #;AKOS000946756;NSC-131977

Chemical Property of Carbanilide, N-benzylthio-

Chemical Property:

• Vapor Pressure: 1.01E-08mmHg at 25°C
• Melting Point: 107 °C
• Boiling Point: 462.1°C at 760 mmHg
• PKA: 12.98±0.70(Predicted)
• Flash Point: 233.3°C
• PSA: 47.36000
• Density: 1.239g/cm³
• LogP: 5.16320
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 318.11906976
• Heavy Atom Count: 23
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3

Technology Process of Carbanilide, N-benzylthio-

There total 2 articles about Carbanilide, N-benzylthio- 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: 27.0%

N-Benzylaniline (758640-21-0,103-32-2) + phenyl isothiocyanate (103-72-0) → N-benzyl-N,N'-diphenyl-thiourea (3053-39-2)

Guidance literature:

In ethanol; at 60 ℃;

DOI:10.1055/s-0040-1720907

Reference yield:

→ N-benzyl-N,N'-diphenyl-thiourea (3053-39-2)

Guidance literature:

Benzylanilin, Phenylisothiocyanat;

Reference yield:

ethanol (64-17-5) + N-benzyl-N,N'-diphenyl-thiourea (3053-39-2) + hydrazine hydrate (7803-57-8,79785-97-0) → N-Benzylaniline (758640-21-0,103-32-2) + hydrogen sulfide (7783-06-4)

Guidance literature:

at 110 ℃;

upstream raw materials:

N-Benzylaniline

phenyl isothiocyanate

Downstream raw materials:

N-Benzylaniline

hydrogen sulfide

Refernces