Metallibure

Base Information

• Chemical Name: Metallibure
• CAS No.: 926-93-2
• Molecular Formula: C7H14 N4 S2
• Molecular Weight: 218.347
• Hs Code.: 2930909090
• European Community (EC) Number: 213-146-7
• NSC Number: 69536
• UNII: MBU5XJ97C4
• DSSTox Substance ID: DTXSID70862475
• Nikkaji Number: J9.471D
• Wikipedia: Metallibure
• Wikidata: Q27283830
• NCI Thesaurus Code: C174703
• ChEMBL ID: CHEMBL2106852
• Mol file: 926-93-2.mol

Synonyms:Aimax;ICI 33,828;ICI-33,828;ICI33,828;Metallibur;Metallibure;Methallibure;Suisynchron;Turisynchron

Chemical Property of Metallibure

Chemical Property:

• Vapor Pressure: 0.00237mmHg at 25°C
• Melting Point: 199°C (rough estimate)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 288.2°C at 760 mmHg
• PKA: 9.85±0.70(Predicted)
• Flash Point: 128.1°C
• PSA: 112.30000
• Density: 1.181g/cm³
• LogP: 1.59750
• XLogP3: 1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.06598881
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

95-99% ^*data from raw suppliers

Methallibure ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=C)NC(=S)NNC(=S)NC
• Recent ClinicalTrials: A Randomized, Double-Blind, Placebo-Controlled, Parallel-Group, Multicenter Trial to Evaluate the Safety, Tolerability, and Efficacy of MK-8457 in Participants With Rheumatoid Arthritis (MK-8457-010)
• Recent EU Clinical Trials: MAcrophage Therapy for Liver Cirrhosis (MATCH)
• Uses: Anterior pituitary activator (for swine). Methallibure is a non-steroidal gonadotropin (GTH) inhibitor.

Technology Process of Metallibure

There total 2 articles about Metallibure 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:

1-methyl-allyl isothiocyanate (2253-71-6) + 4-methylthiosemicarbazide (6610-29-3) → hydrazine-N,N'-dicarbothioic acid methylamide 1-methyl-allylamide (926-93-2)

Guidance literature:

Reference yield:

→ hydrazine-N,N'-dicarbothioic acid methylamide 1-methyl-allylamide (926-93-2)

Guidance literature:

4-(1-Methylallyl)thiosemicarbazid, CH3-NCS;

upstream raw materials:

1-methyl-allyl isothiocyanate

4-methylthiosemicarbazide