Thiobutabarbital

Base Information

• Chemical Name: Thiobutabarbital
• CAS No.: 2095-57-0
• Molecular Formula: C10H16 N2 O2 S
• Molecular Weight: 228.315
• Hs Code.: 2933599090
• European Community (EC) Number: 218-260-0
• NSC Number: 32372,27685
• UNII: 2N0251U7JH
• DSSTox Substance ID: DTXSID90871862
• Nikkaji Number: J9.487K
• Wikipedia: Thiobutabarbital
• Wikidata: Q906220
• NCI Thesaurus Code: C87670
• Mol file: 2095-57-0.mol

Synonyms:5-ethyl-5-(1-methylpropyl)-2-thiobarbiturate, sodium salt;5-sec-butyl-5-ethyl-2-thiobarbituric acid;Brevenal (Thiopental);Brevinarcon;Inactin;thiobutabarbital;thiobutabarbital, monosodium salt

Chemical Property of Thiobutabarbital

Chemical Property:

• Melting Point: 163-164°C
• Refractive Index: 1.5650 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 7.21±0.40(Predicted)
• Flash Point: °C
• PSA: 93.78000
• Density: 1.19g/cm³
• LogP: 1.56450
• Solubility.: H2O: storage of solutions for more than 8 hours at 4°C is
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C1(C(=O)NC(=S)NC1=O)CC
• Uses: Anesthetic

Technology Process of Thiobutabarbital

There total 2 articles about Thiobutabarbital 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) → thiobutabarbital (2095-57-0)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01313a062

Reference yield:

→ thiobutabarbital (2095-57-0)

Guidance literature:

Aethyl-sec.-butyl-malonsaeuredibutylester, Thioharnstoff, Na in Me. <50-80grad>;

upstream raw materials:

thiourea