1-(2-Aminophenyl)-3-methylthiourea

Base Information

• Chemical Name: 1-(2-Aminophenyl)-3-methylthiourea
• CAS No.: 20367-31-1
• Molecular Formula: C8H11N3S
• Molecular Weight: 181.25800
• DSSTox Substance ID: DTXSID70394069
• Wikidata: Q82193243
• Mol file: 20367-31-1.mol

Synonyms:1-(2-aminophenyl)-3-methylthiourea;20367-31-1;N-(2-aminophenyl)-N'-methylthiourea;SCHEMBL13568860;DTXSID70394069;MFCD03012689;AKOS006278577;3T-0361

Chemical Property of 1-(2-Aminophenyl)-3-methylthiourea

Chemical Property:

• PSA: 89.21000
• LogP: 2.25050
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.06736854
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

N-(2-AMINOPHENYL)-N'-METHYLTHIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)NC1=CC=CC=C1N

Technology Process of 1-(2-Aminophenyl)-3-methylthiourea

There total 2 articles about 1-(2-Aminophenyl)-3-methylthiourea 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: 20.0%

methyl thioisocyanate (556-61-6) + 1,2-diamino-benzene (95-54-5) → 1-(2-amino-phenylene)-3-methyl-thiourea (20367-31-1)

Guidance literature:

for 1h; Grinding; Neat (no solvent);

DOI:10.1039/c0ce00680g

Reference yield:

→ 1-(2-amino-phenylene)-3-methyl-thiourea (20367-31-1)

Guidance literature:

o-Phenylendiamin, Methyl-isothiocyanat;

Reference yield: 90.0%

thiophosgene (463-71-8) + 1-(2-amino-phenylene)-3-methyl-thiourea (20367-31-1) → 3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione (74734-08-0)

Guidance literature:

With triethylamine; In acetone; for 1h;

upstream raw materials:

methyl thioisocyanate

1,2-diamino-benzene

Downstream raw materials:

3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione

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