4-[(4-Phenyl-2-thiazolyl)amino]-benzenesulfonamide

Base Information

• Chemical Name: 4-[(4-Phenyl-2-thiazolyl)amino]-benzenesulfonamide
• CAS No.: 66121-82-2
• Molecular Formula: C15H13N3O2S2
• Molecular Weight: 331.41300
• DSSTox Substance ID: DTXSID40354296
• Wikidata: Q27181076
• ChEMBL ID: CHEMBL178489

Synonyms:4-[(4-Phenyl-2-thiazolyl)amino]-benzenesulfonamide;66121-82-2;4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide;CHEMBL178489;4-(4-Phenyl-thiazol-2-ylamino)-benzenesulfonamide;Cambridge id 5930887;Oprea1_625074;Oprea1_773463;SCHEMBL22680557;DTXSID40354296;CHEBI:103884;BDBM50293571;CCG-20344;STK000436;AKOS000565120;NCGC00262411-01;NCGC00262411-02;EU-0011430;4-(4-Phenylthiazol-2-ylamino)benzenesulfonamide;AB00101156-01;AB00101156-09;4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide;SR-01000492469;SR-01000492469-1;Q27181076

Chemical Property of 4-[(4-Phenyl-2-thiazolyl)amino]-benzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.73E-13mmHg at 25°C
• Boiling Point: 571.1oC at 760 mmHg
• Flash Point: 299.2oC
• PSA: 121.70000
• Density: 1.425g/cm3
• LogP: 5.05520
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 331.04491901
• Heavy Atom Count: 22
• Complexity: 452

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N

Technology Process of 4-[(4-Phenyl-2-thiazolyl)amino]-benzenesulfonamide

There total 4 articles about 4-[(4-Phenyl-2-thiazolyl)amino]-benzenesulfonamide 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: 97.0%

(4-aminosulfonylphenyl)thiourea (1718-39-4) + α-bromoacetophenone (70-11-1) → 4-(4-phenylthiazol-2-ylamino)benzenesulfonamide (66121-82-2)

Guidance literature:

In ethanol; at 71 ℃; for 0.0125h; Microwave irradiation;

DOI:10.1016/j.bmc.2009.04.030

Reference yield:

sulfanilamide (63-74-1) → 4-(4-phenylthiazol-2-ylamino)benzenesulfonamide (66121-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 12 h / 100 °C

2: N,N-dimethyl-formamide; ethanol / 5 h / 80 °C

With hydrogenchloride; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.3109/14756366.2015.1128426

Reference yield:

α-bromoacetophenone (70-11-1) → 4-(4-phenylthiazol-2-ylamino)benzenesulfonamide (66121-82-2)

Guidance literature:

With ethanol;

upstream raw materials:

(4-aminosulfonylphenyl)thiourea

1-chloroacetophenone

α-bromoacetophenone

sulfanilamide

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