N-Ethyl-N-phenylthiocarbamoyl chloride

Base Information

• Chemical Name: N-Ethyl-N-phenylthiocarbamoyl chloride
• CAS No.: 35517-93-2
• Molecular Formula: C9H10 Cl N S
• Molecular Weight: 199.704
• Hs Code.: 2930909090
• European Community (EC) Number: 670-602-1
• DSSTox Substance ID: DTXSID70374543
• Wikidata: Q82163160
• Mol file: 35517-93-2.mol

Synonyms:N-Ethyl-N-phenylthiocarbamoyl chloride;35517-93-2;N-ethyl-N-phenylcarbamothioyl chloride;N-(CHLOROMETHANETHIOYL)-N-ETHYLANILINE;SCHEMBL11757993;DTXSID70374543;Ethyl(phenyl)carbamothioyl chloride;MFCD03093782;AKOS006276942;N-ethyl-N-phenyl-carbamothioyl chloride;A822847

Chemical Property of N-Ethyl-N-phenylthiocarbamoyl chloride

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 56 °C
• Refractive Index: 1.634
• Boiling Point: 263.3°C at 760 mmHg
• Flash Point: 113°C
• PSA: 35.33000
• Density: 1.245g/cm³
• LogP: 3.03660
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.0222482
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

N-Ethyl-N-phenylthiocarbamoylchloride tech ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Ethyl-N-phenylthiocarbamoyl chloride

There total 5 articles about N-Ethyl-N-phenylthiocarbamoyl chloride 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:

N-Ethyl-N-phenyl-thioformamide (35517-76-1) → ethyl-phenyl-thiocarbamoyl chloride (35517-93-2)

Guidance literature:

With chlorine; In tetrachloromethane;

Reference yield:

N-ethylformanilide (5461-49-4) → ethyl-phenyl-thiocarbamoyl chloride (35517-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: P₂S₅ / benzene

2: Cl₂ / CCl₄

With tetraphosphorus decasulfide; chlorine; In tetrachloromethane; benzene;

Reference yield:

N-ethyl-N-phenylamine (103-69-5) → ethyl-phenyl-thiocarbamoyl chloride (35517-93-2)

Guidance literature:

With diethyl ether;

upstream raw materials:

N,N'-diethyl-N,N'-diphenylthiuram disulfide

N-Ethyl-N-phenyl-thioformamide

N-ethyl-N-phenylamine

N-ethylformanilide

Downstream raw materials:

N,N'-diethyl-N,N'-diphenyl-thiourea

N,N'-diphenyl-N-ethylthiourea

ethyl-phenyl-thiocarbamic acid O-ethyl ester