(4-chlorophenyl)methyl N-phenylcarbamodithioate

Base Information

• Chemical Name: (4-chlorophenyl)methyl N-phenylcarbamodithioate
• CAS No.: 730-17-6
• Molecular Formula: C14H12 Cl N S2
• Molecular Weight: 293.841
• NSC Number: 270379
• DSSTox Substance ID: DTXSID40398276
• Mol file: 730-17-6.mol

Synonyms:730-17-6;(4-chlorophenyl)methyl N-phenylcarbamodithioate;NSC270379;DTXSID40398276;NSC-270379

Chemical Property of (4-chlorophenyl)methyl N-phenylcarbamodithioate

Chemical Property:

• Vapor Pressure: 3.65E-07mmHg at 25°C
• Boiling Point: 417°Cat760mmHg
• Flash Point: 206°C
• Density: 1.354g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 293.0099694
• Heavy Atom Count: 18
• Complexity: 259

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)NC(=S)SCC2=CC=C(C=C2)Cl

Technology Process of (4-chlorophenyl)methyl N-phenylcarbamodithioate

There total 2 articles about (4-chlorophenyl)methyl N-phenylcarbamodithioate 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: 87.0%

phenyl isothiocyanate (103-72-0) + (4-chlorophenyl)methanethiol (6258-66-8) → 4-chlorobenzyl phenylcarbamodithioate (730-17-6)

Guidance literature:

With tris(bis(trimethylsilyl)amido)lanthanum(III); In toluene; at 40 ℃; for 30h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.organomet.9b00147

Reference yield:

→ 4-chlorobenzyl phenylcarbamodithioate (730-17-6)

Guidance literature:

/BRN= 606496/, PhNCS;

upstream raw materials:

phenyl isothiocyanate

(4-chlorophenyl)methanethiol

Refernces

• 1、 -. "Method for catalyzing addition reaction of phenyl isocyanate or phenyl isothiocyanate with thiol". Paragraph 0142; 0143; 0166; 0167. . Retrieved 2018/10/02.