Kethoxal bis(thiosemicarbazone)

Base Information

• Chemical Name: Kethoxal bis(thiosemicarbazone)
• CAS No.: 2507-91-7
• Molecular Formula: C8H16 N6 O S2
• Molecular Weight: 276.387
• Hs Code.: 2930909090
• European Community (EC) Number: 219-715-6
• NSC Number: 82116
• NCI Thesaurus Code: C76265
• Mol file: 2507-91-7.mol

Synonyms:gloxazone

Chemical Property of Kethoxal bis(thiosemicarbazone)

Chemical Property:

• Vapor Pressure: 2.97E-07mmHg at 25°C
• Refractive Index: 1.6460 (estimate)
• Boiling Point: 419.7°Cat760mmHg
• Flash Point: 207.6°C
• PSA: 174.23000
• Density: 1.41g/cm³
• LogP: 1.60200
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 276.08270150
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C)C(=NNC(=S)N)C=NNC(=S)N
• Isomeric SMILES: CCOC(C)/C(=N/NC(=S)N)/C=N/NC(=S)N
• Uses: naplasmodastat (veterinary).

Technology Process of Kethoxal bis(thiosemicarbazone)

There total 3 articles about Kethoxal bis(thiosemicarbazone) 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: 43.5%

thiosemicarbazide (79-19-6) + 3-Ethoxy-2-oxobutyraldehyde (3688-37-7) → NSC-82116 (2507-91-7)

Guidance literature:

DOI:10.1007/BF00769807

Reference yield:

→ NSC-82116 (2507-91-7)

Guidance literature:

β-Ethoxy-α-keto-butyraldehyd, Thiosemicarbazid (Molverhaeltnis von 1:2);

Reference yield:

thiosemicarbazide (79-19-6) + 3-Ethoxy-2-oxobutyraldehyde (3688-37-7) → 2-keto-3-ethoxybutyraldehyde bis(thiosemicarbazone) (2507-91-7)

Guidance literature:

upstream raw materials:

thiosemicarbazide

3-Ethoxy-2-oxobutyraldehyde

Refernces

• 1、 Dilanyan, E. R.,Ovsenyan, T. R.,Arsenyan, F. G.,Garibdzhanyan, B. T.,Mironov, E. A.,Vol'pin, M. E.. "SYNTHESIS AND BIOLOGICAL ACTIVITY OF BIS-THIOSEMICARBAZONES OF 3-ETHOXY-2-OXOBUTYRALDEHYDE AND THEIR COMPLEXES WITH Cu(II)". . p. 491 - 494. Retrieved 2007/10/02.