N-methyl-N-pentylthiourea

Base Information

• Chemical Name: N-methyl-N-pentylthiourea
• CAS No.: 169789-46-2
• Molecular Formula: C₇H₁₆N₂S
• Molecular Weight: 160.283
• DSSTox Substance ID: DTXSID40438823
• Wikidata: Q82254655
• Mol file: 169789-46-2.mol

Synonyms:N-methyl-N-pentylthiourea;1-methyl-1-pentylthiourea;169789-46-2;Thiourea, N-methyl-N-pentyl-;SCHEMBL5140728;DTXSID40438823

Chemical Property of N-methyl-N-pentylthiourea

Chemical Property:

• PSA: 65.89000
• LogP: 2.07270
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 160.10341969
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-1-PENTYLTHIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN(C)C(=S)N

Technology Process of N-methyl-N-pentylthiourea

There total 1 articles about N-methyl-N-pentylthiourea 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:

tert-butyl isothiocyanate (590-42-1) + N-methylpentylamine (25419-06-1) → N-methyl-N-pentylthiourea (169789-46-2)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; Yield given. Multistep reaction; 1.) hexane, 1 h, 2.) reflux, 45 min;

DOI:10.1021/jm00013a010

Reference yield:

N-methyl-N-pentylthiourea (169789-46-2) → C23H29N5O

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 0.5 h / 70 °C

2: hydrazine hydrate / methanol / 3 h / Heating

3: conc. HCl / methanol / 5 h / Ambient temperature

With hydrogenchloride; hydrazine hydrate; In methanol; ethanol;

DOI:10.1021/jm00013a010

upstream raw materials:

tert-butyl isothiocyanate

N-methylpentylamine

Refernces