Ethylthiocarbamic acid S-(4-chlorophenyl) ester

Base Information

• Chemical Name: Ethylthiocarbamic acid S-(4-chlorophenyl) ester
• CAS No.: 14467-72-2
• Molecular Formula: C₉H₁₀ClNOS
• Molecular Weight: 215.703
• DSSTox Substance ID: DTXSID301219188
• Nikkaji Number: J2.134.835J

Synonyms:DTXSID301219188;14467-72-2;Ethylthiocarbamic acid S-(4-chlorophenyl) ester;Carbamothioic acid, ethyl-, S-(4-chlorophenyl) ester

Chemical Property of Ethylthiocarbamic acid S-(4-chlorophenyl) ester

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.0171628
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)SC1=CC=C(C=C1)Cl

Technology Process of Ethylthiocarbamic acid S-(4-chlorophenyl) ester

There total 1 articles about Ethylthiocarbamic acid S-(4-chlorophenyl) ester 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:

p-Chlorothiophenol (106-54-7) + ethyl isocyanate (109-90-0) → ethyl-thiocarbamic acid S-(4-chloro-phenyl) ester (14467-72-2)

Guidance literature:

With pyridine; In toluene; Heating;

DOI:10.1021/jo0484676

Reference yield:

ethyl-thiocarbamic acid S-(4-chloro-phenyl) ester (14467-72-2) + para-methylbenzylamine (104-84-7) → 4-methyl-benzylamine; compound with 4-chloro-benzenethiol + 1-Ethyl-3-(4-methyl-benzyl)-urea (65608-86-8)

Guidance literature:

In acetonitrile; at 30 ℃; Kinetics;

DOI:10.1021/jo0484676

Reference yield:

ethyl-thiocarbamic acid S-(4-chloro-phenyl) ester (14467-72-2) + m-chlorobenzylamine (4152-90-3) → 3-chloro-benzylamine; compound with 4-chloro-benzenethiol + lozilurea (71475-35-9)

Guidance literature:

In acetonitrile; at 30 ℃; Kinetics;

DOI:10.1021/jo0484676

upstream raw materials:

p-Chlorothiophenol

ethyl isocyanate

Downstream raw materials:

(N-benzyl-N'-ethyl)urea

lozilurea

1-Ethyl-3-(4-methyl-benzyl)-urea

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