ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate

Base Information

• Chemical Name: ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
• CAS No.: 89477-60-1
• Molecular Formula: C₁₂H₁₆ClN₃S₂
• Molecular Weight: 301.864
• DSSTox Substance ID: DTXSID70407648
• NSC Number: 202979

Synonyms:89477-60-1;ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate;NSC202979;DTXSID70407648;NSC-202979

Chemical Property of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 301.0474176
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN=C(NC(=S)NC1=CC=C(C=C1)Cl)SCC

Technology Process of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate

There total 1 articles about ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate 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:

4-Chlorophenyl isothiocyanate (2131-55-7) → N,S-diethyl-N'-(4-chloro-phenylthiocarbamoyl)-isothiourea (89477-60-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

N,S-diethyl-N'-(4-chloro-phenylthiocarbamoyl)-isothiourea (89477-60-1) → N1-p-Chlorphenyl-N5-ethylbiguanid (60221-93-4)

Guidance literature:

With ammonia; mercury(II) oxide;

Reference yield:

N,S-diethyl-N'-(4-chloro-phenylthiocarbamoyl)-isothiourea (89477-60-1) → 1-ethyl-5-(4-chloro-phenyl)-dithiobiuret (854456-18-1)

Guidance literature:

With sodium hydrogensulfide; ethanol; hydrogen sulfide;

upstream raw materials:

4-Chlorophenyl isothiocyanate

Downstream raw materials:

N¹-p-Chlorphenyl-N⁵-ethylbiguanid

1-ethyl-5-(4-chloro-phenyl)-dithiobiuret

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