S-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate

Base Information

• Chemical Name: S-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate
• CAS No.: 13522-41-3
• Molecular Formula: C14H11N3O5S
• Molecular Weight: 333.3192
• NSC Number: 171715
• DSSTox Substance ID: DTXSID30305818
• Wikidata: Q82052562

Synonyms:13522-41-3;NSC171715;S-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate;DTXSID30305818;NSC-171715

Chemical Property of S-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate

Chemical Property:

• Vapor Pressure: 1.2E-11mmHg at 25°C
• Boiling Point: 538.1°C at 760 mmHg
• Flash Point: 279.2°C
• Density: 1.49g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 333.04194163
• Heavy Atom Count: 23
• Complexity: 448

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of S-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate

There total 3 articles about S-(4-Nitrophenyl) methyl(4-nitrophenyl)carbamothioate 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-Methyl-N-<4-nitro-phenyl>-thiocarbamidsaeure-O-<4-nitro-phenylester> (13522-36-6) → N-Methyl-N-(4-nitro-phenyl)-thiocarbamidsaeure-5-(4-nitro-phenylester) (13522-41-3)

Guidance literature:

at 200 ℃;

DOI:10.1021/jo01350a023

Reference yield:

N-methyl(p-nitroaniline) (100-15-2) → N-Methyl-N-(4-nitro-phenyl)-thiocarbamidsaeure-5-(4-nitro-phenylester) (13522-41-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 200 °C

DOI:10.1021/jo01350a023

Reference yield:

→ N-Methyl-N-(4-nitro-phenyl)-thiocarbamidsaeure-5-(4-nitro-phenylester) (13522-41-3)

Guidance literature:

aus entspr. Thionocarbamat, Δ;

upstream raw materials:

N-Methyl-N-<4-nitro-phenyl>-thiocarbamidsaeure-O-<4-nitro-phenylester>

N-methyl(p-nitroaniline)

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