Phthalimidomethylisothiouronium bromide

Base Information

• Chemical Name: Phthalimidomethylisothiouronium bromide
• CAS No.: 64039-42-5
• Molecular Formula: BrH*C₁₀H₉N₃O₂S
• Molecular Weight: 316.178
• NSC Number: 122347
• DSSTox Substance ID: DTXSID30982128
• ChEMBL ID: CHEMBL3780214
• Mol file: 64039-42-5.mol

Synonyms:64039-42-5;Phthalimidomethylisothiouronium bromide;USAF A-964;NSC122347;Pseudourea, 2-phthalimidomethyl-2-thio-, hydrobromide;CHEMBL3780214;DTXSID30982128;NSC 122347;NSC-122347;(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl carbamimidothioate--hydrogen bromide (1/1);Carbamimidothioic acid,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide

Chemical Property of Phthalimidomethylisothiouronium bromide

Chemical Property:

• Vapor Pressure: 1.35E-06mmHg at 25°C
• Boiling Point: 399.7°Cat760mmHg
• Flash Point: 195.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 314.96771
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(=N)N.Br

Technology Process of Phthalimidomethylisothiouronium bromide

There total 1 articles about Phthalimidomethylisothiouronium bromide 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: 77.0%

N-(bromomethyl)phtalimide (5332-26-3) + thiourea (17356-08-0) → (1,3-dioxoisoindolin-2-yl)methyl carbamimidothioate hydrobromide (64039-42-5)

Guidance literature:

In ethanol; for 2h; Reflux;

DOI:10.1016/j.ejmech.2016.02.042

upstream raw materials:

N-(bromomethyl)phtalimide

thiourea