(1-Phenyl-ethyl)-thiourea

Base Information

• Chemical Name: (1-Phenyl-ethyl)-thiourea
• CAS No.: 67398-34-9
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.27
• Hs Code.: 2930909090
• European Community (EC) Number: 847-005-1
• NSC Number: 5351
• DSSTox Substance ID: DTXSID80369369
• Nikkaji Number: J937.970C
• Mol file: 67398-34-9.mol

Synonyms:(1-Phenyl-ethyl)-thiourea;(1-Phenyl-ethyl)thiourea;67398-34-9;1-phenylethylthiourea;1-(1-phenylethyl)thiourea;(1-phenylethyl)thiourea;NSC5351;alpha-methylbenzylthiourea;N-(1-phenylethyl)thiourea;SCHEMBL4037544;CCG-259;DTXSID80369369;HMS1783K07;NSC-5351;MFCD00729524;STL412555;AKOS001051569;AKOS016050206;NCGC00321536-01;BS-29327;CS-0212957;EN300-05812;F88118;AB01317026-02;Z56913099

Chemical Property of (1-Phenyl-ethyl)-thiourea

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Boiling Point: 300.3°Cat760mmHg
• Flash Point: 135.4°C
• PSA: 70.14000
• Density: 1.148g/cm³
• LogP: 2.67200
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

(1-Phenyl-ethyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=S)N

Technology Process of (1-Phenyl-ethyl)-thiourea

There total 3 articles about (1-Phenyl-ethyl)-thiourea 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:

(1-isothiocyanato-ethyl)-benzene (24277-44-9,32393-32-1,24277-43-8,4478-92-6) → N-(α-methylbenzyl)thiourea (67398-34-9)

Guidance literature:

With ammonia;

Reference yield:

rac-methylbenzylamine (618-36-0) → N-(α-methylbenzyl)thiourea (67398-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution / dann mit Chlorokohlensaeure-aethylester

2: NH₃

With sodium hydroxide; ammonia;

Reference yield:

→ N-(α-methylbenzyl)thiourea (67398-34-9)

Guidance literature:

/BRN= 207685/, NH3;

upstream raw materials:

(1-isothiocyanato-ethyl)-benzene

rac-methylbenzylamine

Downstream raw materials:

{1-[3-(1-Phenyl-ethyl)-thioureido]-pentyl}-phosphonic acid diphenyl ester

{2-Phenyl-1-[3-(1-phenyl-ethyl)-thioureido]-ethyl}-phosphonic acid diphenyl ester

{Phenyl-[3-(1-phenyl-ethyl)-thioureido]-methyl}-phosphonic acid diphenyl ester

{1-[3-(1-phenyl-ethyl)-thioureido]-ethyl}-phosphonic acid diphenyl ester