1-Acetylimidazolidinethione

Base Information

• Chemical Name: 1-Acetylimidazolidinethione
• CAS No.: 5391-52-6
• Molecular Formula: C5H8N2OS
• Molecular Weight: 144.19500
• Hs Code.: 2933990090
• European Community (EC) Number: 611-065-5
• UNII: 915LI10XR7
• DSSTox Substance ID: DTXSID00202188
• Wikidata: Q27271372
• Mol file: 5391-52-6.mol

Synonyms:1-Acetylimidazolidinethione;5391-52-6;1-(2-sulfanylideneimidazolidin-1-yl)ethanone;1-Acetylimidazolidine-2-thione;Ethanone, 1-(2-thioxo-1-imidazolidinyl)-;N-acetylimidazolidinethione;1-(2-sulfanylideneimidazolidin-1-yl)ethan-1-one;UNII-915LI10XR7;915LI10XR7;Tizanidine Impurity C;SCHEMBL21291825;DTXSID00202188;BCP21057;AKOS001025474;AS-58978;D93030;EN300-7245174;Q27271372;Z56755947

Chemical Property of 1-Acetylimidazolidinethione

Chemical Property:

• Vapor Pressure: 0.163mmHg at 25°C
• Melting Point: 165-167℃
• Boiling Point: 213.6oC at 760 mmHg
• PKA: 11.81±0.20(Predicted)
• Flash Point: 83oC
• PSA: 71.47000
• Density: 1.31g/cm3
• LogP: -0.49220
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.03573406
• Heavy Atom Count: 9
• Complexity: 157

Purity/Quality:

99.9% ^*data from raw suppliers

1-Acetylimidazolidinethione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCNC1=S
• Uses: 1-Acetylimidazolidinethione, is the substituted imidazolidinethiones, which is an active central nervous system depressant.

Technology Process of 1-Acetylimidazolidinethione

There total 2 articles about 1-Acetylimidazolidinethione 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:

N,N'-ethylenethiourea (96-45-7) + acetyl chloride (75-36-5) → 1-Acetyl-imidazolidin-2-thion (5391-52-6)

Guidance literature:

With acetic acid;

DOI:10.1021/ja01633a068

Reference yield:

→ 1-Acetyl-imidazolidin-2-thion (5391-52-6)

Guidance literature:

Imidazolidin-2-thion, Acetylchlorid, Eg.;

DOI:10.1139/v65-464

upstream raw materials:

N,N'-ethylenethiourea

acetyl chloride