S-(4-(Acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate

Base Information

• Chemical Name: S-(4-(Acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate
• CAS No.: 1241-00-5
• Molecular Formula: C16H16N2O4S2
• Molecular Weight: 364.446
• NSC Number: 111104
• DSSTox Substance ID: DTXSID00154219
• Wikidata: Q83021371
• Mol file: 1241-00-5.mol

Synonyms:NSC111104;1241-00-5;S-(4-(Acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate;NSC 111104;4-ACETYLAMINO-BENZENETHIOSULFONIC ACID S-(4-ACETYLAMINO-PHENYL) ESTER;N-[4-(4-acetamidophenyl)sulfonylsulfanylphenyl]acetamide;DTXSID00154219;JAHDWOJBMXXCEL-UHFFFAOYSA-N;ZINC00638554;AKOS002699821;NSC-111104;Benzenethiosulfonic acid, 4-acetamido-, S-(4-acetamidophenyl) ester;S-[4-(Acetylamino)phenyl] 4-(acetylamino)benzenesulfonothioate #

Chemical Property of S-(4-(Acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate

Chemical Property:

• Density: 1.41g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 364.05514934
• Heavy Atom Count: 24
• Complexity: 543

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Technology Process of S-(4-(Acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate

There total 21 articles about S-(4-(Acetylamino)phenyl) 4-(acetylamino)benzenesulfonothioate 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: 70.0%

4-acetamidothiophenol (1126-81-4) → 4'-acetamidophenyl-4-acetamidobenzene thiolsulfonate (1241-00-5)

Guidance literature:

With chlorine; sodium carbonate; In Petroleum ether; for 0.5h; Ambient temperature;

Reference yield: 59.0%

bis(4-acetamidothiophenyl)phenylmethane (81279-54-1) → 4'-acetamidophenyl-4-acetamidobenzene thiolsulfonate (1241-00-5)

Guidance literature:

With dihydrogen peroxide; In acetic acid; for 37h;

DOI:10.1002/jps.2600710115

Reference yield:

potassium ethyl xanthogenate (140-89-6) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4'-acetamidophenyl-4-acetamidobenzene thiolsulfonate (1241-00-5) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1)

Guidance literature:

DOI:10.1039/jr9450000666

upstream raw materials:

(4-acetamidophenyl)disulfide

4-acetamidobenzenesulfinic acid

1-methyl-4-nitrosobenzene

thiourea

Downstream raw materials:

4-acetamidobenzenesulfinic acid

acetic acid-[4-(2,4-dinitro-benzenesulfonyl)-anilide]

4'-aminophenyl-4-aminobenzene thiolsulfonate

(4-acetamidophenyl)disulfide

Refernces

• 1、 Morkved,Cronyn. "Preparation and screening of some new thioacetals, sulfones, and derivatives of 4-dichloromethylbenzoyl and 4-trichloromethylbenzoyl chloride as potential antimalarials". . p. 59 - 63. Retrieved 2007/10/02.
• 2、 Yung,Forrest,Manzer,Gilroy. "Reactions of benzenesulfonohydrazides and benzenesulfonamides with hydrogen chloride or hydrogen bromide in acetic acid". . p. 1009 - 1012. Retrieved 2007/10/06.