Benzenesulfinamide

Base Information

• Chemical Name: Benzenesulfinamide
• CAS No.: 16066-31-2
• Molecular Formula: C₆H₇NOS
• Molecular Weight: 141.194
• European Community (EC) Number: 870-776-0
• DSSTox Substance ID: DTXSID40461151
• Nikkaji Number: J270.108A
• Mol file: 16066-31-2.mol

Synonyms:Benzenesulfinamide;16066-31-2;Benzenesulphinamide;SCHEMBL1498203;DTXSID40461151;QJCPEOFEBREKQB-UHFFFAOYSA-N;MFCD00465093;F91930;EN300-1086757

Chemical Property of Benzenesulfinamide

Chemical Property:

• Melting Point: 122 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Boiling Point: 317.5±25.0 °C(Predicted)
• PKA: 9.40±0.40(Predicted)
• PSA: 62.30000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 2.23390
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.02483502
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

Benzenesulfinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)N

Technology Process of Benzenesulfinamide

There total 12 articles about Benzenesulfinamide 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: 90.0%

methyl benzenesulfinate (670-98-4) → benzenesulfinamide (16066-31-2,33903-53-6)

Guidance literature:

methyl benzenesulfinate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; for 1.83333h;

With ammonium chloride; In tetrahydrofuran; water; at 20 ℃; Saturated solution;

DOI:10.1016/j.tet.2012.06.072

Reference yield: 90.0%

S-p-nitrophenyl-S-phenylsulfoximide (66429-81-0) → benzenesulfinamide (16066-31-2,33903-53-6)

Guidance literature:

With sulfur; ammonia; at 60 ℃; for 3h;

DOI:10.1055/s-1983-30623

Reference yield: 89.0%

3-phenylsulphinyliminomethyl-1,2-benzisoxazole (81981-86-4) + N-butylamine (109-73-9,85404-21-3) → benzenesulfinamide (16066-31-2,33903-53-6) + 3-butyliminomethyl-1,2-benzisoxazole (84395-92-6)

Guidance literature:

In ethanol; for 1.5h; Ambient temperature;

DOI:10.1248/cpb.30.2820

upstream raw materials:

benzenesulphinyl chloride

1-(benzenesulfinyl)-4-nitrobenzene

S-p-nitrophenyl-S-phenylsulfoximide

3-phenylsulphinyliminomethyl-1,2-benzisoxazole

Downstream raw materials:

benzenesulfonamide

3-phenylsulfinyl-8-acetoxy-2,6-dimethylocta-1,6Z-diene

3-phenylsulfinyl-8-acetoxy-2,6-dimethylocta-1,6E-diene

N-(4-Methoxybenzylidene)benzenesulfinamide