benzyl N'-(2-chlorophenyl)carbamimidothioate

Base Information

• Chemical Name: benzyl N'-(2-chlorophenyl)carbamimidothioate
• CAS No.: 89070-01-9
• Molecular Formula: C₁₄H₁₃ClN₂S
• Molecular Weight: 276.79
• DSSTox Substance ID: DTXSID60534371

Synonyms:89070-01-9;benzyl N'-(2-chlorophenyl)carbamimidothioate;DTXSID60534371

Chemical Property of benzyl N'-(2-chlorophenyl)carbamimidothioate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 276.0487973
• Heavy Atom Count: 18
• Complexity: 277

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)CSC(=NC2=CC=CC=C2Cl)N

Technology Process of benzyl N'-(2-chlorophenyl)carbamimidothioate

There total 1 articles about benzyl N'-(2-chlorophenyl)carbamimidothioate 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:

o-chlorophenyl S-benzylisothiocarbamide hydrochloride → o-chlorophenyl S-benzylisothiocarbamide (89070-01-9)

Guidance literature:

With ammonium hydroxide; In ethanol; water;

Reference yield: 95.0%

2,3,6-tri-O-acetyl-4-O-[2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl]-α-D-glucopyranosyl isothiocyanate + o-chlorophenyl S-benzylisothiocarbamide (89070-01-9) → C41H48ClN3O17S2 (1373868-16-6)

Guidance literature:

In benzene; for 3h; Heating;

DOI:10.1155/2012/521751

Reference yield: 74.94%

o-chlorophenyl S-benzylisothiocarbamide (89070-01-9) + Acetic acid (2R,3R,4S,5R,6R)-3,5-diacetoxy-2-acetoxymethyl-6-isocyanato-tetrahydro-pyran-4-yl ester (104974-80-3) → 1-o-chloro-phenyl-5-tetra-O-acetyl-β-D-glucopyranosyl-2-S-benzyl-2-isothiobiuret (1472651-75-4)

Guidance literature:

In benzene; for 4h; Reflux;

Downstream raw materials:

2-(Benzylthio)-1-(2-chlorophenyl)-4-phenyl-1,6-dihydro-1,3,5-triazine-6-thione

1-(2-Chlorophenyl)-2-hydrazino-4-phenyl-1,6-dihydro-1,3,5-triazine-6-thione

C₁₆H₁₃ClN₆S₂

C₁₇H₁₅ClN₆S₂

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