Octanoyl thiourea

Base Information

• Chemical Name: Octanoyl thiourea
• CAS No.: 42113-92-8
• Molecular Formula: C9H18N2OS
• Molecular Weight: 202.317
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30962288
• Nikkaji Number: J48.950F
• Wikidata: Q82943933
• Mol file: 42113-92-8.mol

Synonyms:Octanoyl thiourea;42113-92-8;USAF B-105;Urea, 1-octanoyl-2-thio-;BRN 1773550;C9H18N2OS;Octanoylthiourea;SCHEMBL11818237;DTXSID30962288;Octanamide, N-(aminothioxomethyl)-;AKOS003482051;N-[Imino(sulfanyl)methyl]octanimidic acid;LS-160586

Chemical Property of Octanoyl thiourea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 95.24000
• Density: 1.055g/cm³
• LogP: 3.26770
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 202.11398438
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)NC(=S)N

Technology Process of Octanoyl thiourea

There total 2 articles about Octanoyl 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:

thiourea (17356-08-0) + n-octanoic acid chloride (111-64-8) → octanoyl thiourea (42113-92-8)

Guidance literature:

In toluene;

DOI:10.1016/j.bmcl.2021.127873

Reference yield:

→ octanoyl thiourea (42113-92-8)

Guidance literature:

/BRN= 1753749/;

upstream raw materials:

thiourea

n-octanoic acid chloride