Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-

Base Information

• Chemical Name: Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-
• CAS No.: 14255-92-6
• Molecular Formula: C10H11 Cl N2 S
• Molecular Weight: 226.7257
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50162081
• Nikkaji Number: J49.062H
• Mol file: 14255-92-6.mol

Synonyms:14255-92-6;Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-;1-(2-chlorophenyl)-3-prop-2-enylthiourea;BRN 2840657;1-(2-Chlorophenyl)-3-allylthiourea;1-Allyl-3-(2'-chlorophenyl)-2-thiourea;AI3-22168;Thiourea, N-(2-chlorophenyl)-N'-2-propenyl-;N-allyl-N'-(2-chlorophenyl)thiourea;1-(2-CHLOROPHENYL)-3-(PROP-2-EN-1-YL)THIOUREA;C10H11ClN2S;4-12-00-01128 (Beilstein Handbook Reference);DTXSID50162081;FWQCKIRVRGDMSB-UHFFFAOYSA-N;STK696151;AKOS003319986;NCGC00342937-01;LS-158782;1-(2-chlorophenyl)-3-prop-2-en-1-ylthiourea;AB01334822-02;Thiourea, N-(2-chlorophenyl)-N'-(2-propenyl)-

Chemical Property of Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-

Chemical Property:

• Vapor Pressure: 0.000736mmHg at 25°C
• Boiling Point: 307.2°Cat760mmHg
• Flash Point: 139.6°C
• PSA: 63.19000
• Density: 1.264g/cm³
• LogP: 3.29670
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 226.0331472
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC(=S)NC1=CC=CC=C1Cl

Technology Process of Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-

There total 2 articles about Urea, 1-allyl-3-(o-chlorophenyl)-2-thio- 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: 85.0%

o-chloroaniline (95-51-2) + N-allyl isothiocyanate (57-06-7,58391-87-0) → N-allyl-N'-(2-chloro-phenyl)-thiourea (14255-92-6)

Guidance literature:

With triethylamine; In diethyl ether; Ambient temperature;

Reference yield:

→ N-allyl-N'-(2-chloro-phenyl)-thiourea (14255-92-6)

Guidance literature:

/BRN= 2967689/;

DOI:10.1021/ja01542a043

Reference yield: 94.0%

Phenylselenyl chloride (5707-04-0) + N-allyl-N'-(2-chloro-phenyl)-thiourea (14255-92-6) → C16H15ClN2SSe (1019333-97-1)

Guidance literature:

In chloroform; at 0 - 20 ℃;

DOI:10.1080/00397910701845761

upstream raw materials:

o-chloroaniline

N-allyl isothiocyanate

Downstream raw materials:

N-allyl-N'-o-chlorophenylurea

C₁₆H₁₅ClN₂SSe

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