s-(4-Nitrophenyl)thiohydroxylamine

Base Information

• Chemical Name: s-(4-Nitrophenyl)thiohydroxylamine
• CAS No.: 5147-64-8
• Molecular Formula: C6H6N2O2S
• Molecular Weight: 170.192
• NSC Number: 157087
• DSSTox Substance ID: DTXSID60303165
• Nikkaji Number: J787.370K
• Wikidata: Q82048317
• Mol file: 5147-64-8.mol

Synonyms:s-(4-nitrophenyl)thiohydroxylamine;5147-64-8;4-nitrobenzenesulfenamide;Benzenesulfenamide, 4-nitro-;NSC157087;p-nitrophenylsulfenamide;SCHEMBL7977670;DTXSID60303165;AKOS024322457;NSC-157087

Chemical Property of s-(4-Nitrophenyl)thiohydroxylamine

Chemical Property:

• Vapor Pressure: 3.56E-05mmHg at 25°C
• Boiling Point: 353.5°Cat760mmHg
• Flash Point: 167.6°C
• Density: 1.42g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.01499861
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])SN

Technology Process of s-(4-Nitrophenyl)thiohydroxylamine

There total 5 articles about s-(4-Nitrophenyl)thiohydroxylamine 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: 85.0%

para-nitrobenzenethiol (1849-36-1) → p-nitrobenzenesulfenamide (5147-64-8)

Guidance literature:

With potassium hydroxide; hydroxylamine-O-sulfonic acid; In water; at 10 ℃;

DOI:10.1039/P19810002615

Reference yield:

4-nitrobenzenesulfenyl chloride (937-32-6) → p-nitrobenzenesulfenamide (5147-64-8)

Guidance literature:

With diethyl ether; ammonia;

Reference yield:

sodium 4-nitrobenzenethiolate (13113-79-6) → p-nitrobenzenesulfenamide (5147-64-8)

Guidance literature:

With chloroamine;

upstream raw materials:

4-nitrobenzenesulfenyl chloride

sodium 4-nitrobenzenethiolate

para-nitrobenzenethiol

4-acetylamino-benzenethiosulfonic acid S-(4-nitro-phenyl ester)

Downstream raw materials:

bis(4-nitrophenylsulfenyl)amine

benzaldehyde S-(4-nitro-phenyl)-thiooxime

4-nitro-benzenesulfenic acid-((Z)-4-dimethylamino-benzylidenamide)

N²-Benzolsulfonyl-p-nitro-benzolsulfinsaeure-amidin

Refernces

• 1、 Atkinson, Robert S.,Judkins, Brian D.. "Intermolecular Trapping of Sulphenylnitrenes by Alkenes". . p. 2615 - 2619. Retrieved 2007/10/02.