Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone

Base Information

• Chemical Name: Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone
• CAS No.: 22133-01-3
• Molecular Formula: C₇H₈N₂O₃S
• Molecular Weight: 200.218
• DSSTox Substance ID: DTXSID001286156
• Nikkaji Number: J2.507.498J
• Mol file: 22133-01-3.mol

Synonyms:imino(methyl)(4-nitrophenyl)-lambda6-sulfanone;22133-01-3;imino(methyl)(4-nitrophenyl)-l6-sulfanone;imino-methyl-(4-nitrophenyl)-oxo-lambda6-sulfane;SCHEMBL486719;OSHPSKAPWFEQST-UHFFFAOYSA-N;DTXSID001286156;GS0115;AKOS030240536;AT25748;S-Methyl-S-(4-nitrophenyl)sulfoximine;SS-4988;1-(S-methylsulfonimidoyl)-4-nitrobenzene;1-[imino(methane)sulfinyl]-4-nitrobenzene;(RS)-S-(4-nitrophenyl)-S-methylsulfoximide;CS-0264932;Imino(methyl)(4-nitrophenyl)-|E6-sulfanone;(RS)-S-(4-nitrophenyl)-S-methyl sulfoximide;(RS)-S-(4-nitrophenyl)-S-methylsulphoximide;EN300-95392;imino-methyl-(4-nitrophenyl)-oxo-|E6-sulfane

Chemical Property of Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 200.02556330
• Heavy Atom Count: 13
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

imino(methyl)(4-nitrophenyl)-lambda6-sulfanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone

There total 6 articles about Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone 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: 96.0%

1-methylthio-4-nitro-benzene (701-57-5) → S-methyl-S-(4-nitrophenyl)sulfoximine (22133-01-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonium carbamate; In methanol; at 20 ℃; for 0.5h;

DOI:10.1039/c6cc09940h

Reference yield: 71.0%

p-nitrophenyl methyl sulfoxide (940-12-5) → S-methyl-S-(4-nitrophenyl)sulfoximine (22133-01-3)

Guidance literature:

With sodium azide; In neat (no solvent); at 50 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2016.12.031

Reference yield: 63.0%

p-nitrophenyl methyl sulfoxide (940-12-5) → (RS)-S-(4-nitrophenyl)-S-methylsulfoximide (22133-01-3)

Guidance literature:

With sodium azide; sulfuric acid; In water; at 0 - 45 ℃; for 16h;

upstream raw materials:

p-nitrophenyl methyl sulfoxide

N-(trifluoroacetyl)-S-methyl-S-(4-nitrophenyl)sulfoximine

N-cyano-S-methyl-S-(4-nitrophenyl)sulfilimine

N-[methyl(4-nitrophenyl)(oxo)-λ⁶-sulfanylidene]cyanamide

Downstream raw materials:

C₇H₇ClN₂O₃S

(RS)-S-(4-nitrophenyl)-N-(methylcarbamoyl)-S-methyl-sulfoximide

C₁₄H₁₁Cl₂N₃O₄S

(RS)-S-(4-nitrophenyl)-N-(ethylcarbamoyl)-S-methyl-sulfoximide