N-(1-Methyl-2-hexahydroazepinylidene)thiourea

Base Information

• Chemical Name: N-(1-Methyl-2-hexahydroazepinylidene)thiourea
• CAS No.: 84690-68-6
• Molecular Formula: C₈H₁₅N₃S
• Molecular Weight: 185.293
• Mol file: 84690-68-6.mol

Synonyms:N-(1-Methyl-2-hexahydroazepinylidene)thiourea;(Hexahydro-1-methyl-2H-azepin-2-ylidene)thiourea;Thiourea, (hexahydro-1-methyl-2H-azepin-2-ylidene)-;84690-68-6;AKOS006275962;LS-153539

Chemical Property of N-(1-Methyl-2-hexahydroazepinylidene)thiourea

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 298.441°C at 760 mmHg
• Flash Point: 134.293°C
• Density: 1.212g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.09866866
• Heavy Atom Count: 12
• Complexity: 201

Purity/Quality:

(HEXAHYDRO-1-METHYL-2H-AZEPIN-2-YLIDENE)THIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCCCCC1=NC(=S)N
• Isomeric SMILES: CN\1CCCCC/C1=N\C(=S)N

Technology Process of N-(1-Methyl-2-hexahydroazepinylidene)thiourea

There total 1 articles about N-(1-Methyl-2-hexahydroazepinylidene)thiourea 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: 10.0%

thiourea (17356-08-0) + 2,2-dimethoxy-1-methylhexahydroazepine (39650-81-2) → N-(6-methylaminocaprolyl)thiourea + N-(1-methyl-2-hexahydroazepinylidene)thiourea (84690-68-6) + N,N'-bis(1-methyl-2-hexahydroazepinylidene)thiourea

Guidance literature:

at 100 ℃;

upstream raw materials:

thiourea

2,2-dimethoxy-1-methylhexahydroazepine

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