1-Thiocarbamoyl-2-imidazolidinethione

Base Information

• Chemical Name: 1-Thiocarbamoyl-2-imidazolidinethione
• CAS No.: 695-76-1
• Molecular Formula: C4H7 N3 S2
• Molecular Weight: 161.252
• European Community (EC) Number: 864-400-4
• DSSTox Substance ID: DTXSID701028735
• Mol file: 695-76-1.mol

Synonyms:695-76-1;2-SULFANYLIDENEIMIDAZOLIDINE-1-CARBOTHIOAMIDE;1-Thiocarbamoyl-2-imidazolidinethione;carbimid;DTXSID701028735;1-thiocarbamoylimidazolidine-2-thione;NS00067573;EN300-25979490

Chemical Property of 1-Thiocarbamoyl-2-imidazolidinethione

Chemical Property:

• PSA: 105.47000
• LogP: 0.38710
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.00813958
• Heavy Atom Count: 9
• Complexity: 156

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=S)N1)C(=S)N

Technology Process of 1-Thiocarbamoyl-2-imidazolidinethione

There total 3 articles about 1-Thiocarbamoyl-2-imidazolidinethione 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: 79.0%

1-(N-Benzoylthiocarbamoyl)-2-imidazolidinethione (108324-95-4) → 1-Thiocarbamoyl-2-imidazolidinethione (695-76-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 12h;

DOI:10.1055/s-1986-33422

Reference yield:

ethylene diisothiocyanate (3688-08-2) → 1-Thiocarbamoyl-2-imidazolidinethione (695-76-1)

Guidance literature:

With ammonium hydroxide;

DOI:10.1139/v54-111

Reference yield:

etem (33813-20-6) → 1-Thiocarbamoyl-2-imidazolidinethione (695-76-1)

Guidance literature:

With ammonia;

DOI:10.1139/v54-111

upstream raw materials:

ethylene diisothiocyanate

etem

1-(N-Benzoylthiocarbamoyl)-2-imidazolidinethione

Refernces