Dimethylphenylthiourea

Base Information

• Chemical Name: Dimethylphenylthiourea
• CAS No.: 2740-95-6
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.274
• NSC Number: 202264
• DSSTox Substance ID: DTXSID50950086
• Nikkaji Number: J2.946.182A
• ChEMBL ID: CHEMBL1538414
• Mol file: 2740-95-6.mol

Synonyms:DIMETHYLPHENYLTHIOUREA;1,3-dimethyl-1-phenylthiourea;N,N'-dimethyl-N-phenylthiourea;2740-95-6;52777-01-2;NSC202264;MLS000701199;N-phenyl-N,N'-dimethylthiourea;SCHEMBL6694830;CHEMBL1538414;SCHEMBL14220039;DTXSID50950086;HMS2544B15;AKOS026732741;NSC-202264;SMR000230346;N,N'-Dimethyl-N-phenylcarbamimidothioic acid;AR-360/42760610

Chemical Property of Dimethylphenylthiourea

Chemical Property:

• Vapor Pressure: 0.0191mmHg at 25°C
• Refractive Index: 1.629
• Boiling Point: 252.7 °C at 760 mmHg
• Flash Point: 106.6 °C
• Density: 1.142 g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)N(C)C1=CC=CC=C1

Technology Process of Dimethylphenylthiourea

There total 5 articles about Dimethylphenylthiourea 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-methylaniline (100-61-8) → 1,3-dimethyl-1-phenyl-thiourea (2740-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile

2: 1.) 2-halothiazolium salt / 1.) MeCN, MeOH, -25 to 20 deg C, 30 min, 2.) MeCN, MeOH, RT, overnight

With 2-halothiazolium salt; In acetonitrile;

DOI:10.1021/jo00245a025

Reference yield:

methyl-phenyl-dithiocarbamic acid ; compound with triethylamine (83073-99-8) + 2-chloro-4-phenylthiazole (1826-23-9) → 1,3-dimethyl-1-phenyl-thiourea (2740-95-6)

Guidance literature:

With 2-halothiazolium salt; Yield given. Multistep reaction; 1.) MeCN, MeOH, -25 to 20 deg C, 30 min, 2.) MeCN, MeOH, RT, overnight;

DOI:10.1021/jo00245a025

Reference yield:

methyl thioisocyanate (556-61-6) + N-methylaniline (100-61-8) → 1,3-dimethyl-1-phenyl-thiourea (2740-95-6)

Guidance literature:

upstream raw materials:

methyl thioisocyanate

N-methylaniline

N,N'-dimethylthioperoxydicarbamic acid

methyl-phenyl-dithiocarbamic acid ; compound with triethylamine

Downstream raw materials:

3-methyl-2-(N-methyl-anilino)-4,6-dioxo-5-phenyl-5,6-dihydro-4H-[1,3]thiazinium betaine

methyl (Z)-2-methoxy-3-methyl-2-(N-methylanilino)-4-oxothiazolidin-5-ylidene-ethanoate

C₁₀H₁₃N₃O₂

N,N-diphenylthiourea

Refernces