Bithionoloxide

Base Information

• Chemical Name: Bithionoloxide
• CAS No.: 844-26-8
• Molecular Formula: C12H6Cl4O3S
• Molecular Weight: 372.056
• Hs Code.: 2930909090
• European Community (EC) Number: 212-679-2
• NSC Number: 523910
• UNII: 6PL3DO2B30
• DSSTox Substance ID: DTXSID5046225
• Nikkaji Number: J7.136F
• Wikidata: Q27265283
• NCI Thesaurus Code: C78040
• ChEMBL ID: CHEMBL1603949
• Mol file: 844-26-8.mol

Synonyms:bis(2-hydroxy-3,5-dichlorophenyl)sulfoxide;bis(3,5-dichloro-2-hydroxyphenyl)sulfoxide;bithionol sulfoxide;bithionol sulfoxide, monosodium salt;Bitin-S

Chemical Property of Bithionoloxide

Chemical Property:

• Appearance/Colour: Off white to tinch pink crystalline powder
• Melting Point: 220 °C(Solv: methanol (67-56-1))
• Boiling Point: 532.7 °C at 760 mmHg
• PKA: 4.79±0.48(Predicted)
• Flash Point: 276 °C
• PSA: 76.74000
• Density: 1.86 g/cm³
• LogP: 5.74380
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 371.876226
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

98% ^*data from raw suppliers

Bithionol sulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1S(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl

Technology Process of Bithionoloxide

There total 4 articles about Bithionoloxide 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: 71.0%

2,4-dichlorophenol (120-83-2,40477-79-0) → bithionol sulfoxide (844-26-8)

Guidance literature:

With aluminum (III) chloride; thionyl chloride; In dichloromethane; at 0 - 22 ℃; for 8h; Inert atmosphere;

Reference yield:

bithionol (97-18-7) → bithionol sulfoxide (844-26-8)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 60 ℃;

Reference yield:

bis-(2-acetoxy-3,5-dichloro-phenyl)-sulfoxide (861011-20-3) → bithionol sulfoxide (844-26-8)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

bithionol

bis-(2-acetoxy-3,5-dichloro-phenyl)-sulfoxide

2,4-dichlorophenol

bis-(2-acetoxy-3,5-dichloro-phenyl)-sulfide

Downstream raw materials:

4,6,4',6'-tetrachloro-2,2'-sulfonyl-di-phenol

bis-(2-acetoxy-3,5-dichloro-phenyl)-sulfoxide

bithionol

Refernces

• 1、 Kim, Wooseong,Zou, Guijin,Hari, Taylor P. A.,Wilt, Ingrid K.,Zhu, Wenpeng,Galle, Nicolas,Faizi, Hammad A.,Hendricks, Gabriel L.,Tori, Katerina,Pan, Wen,Huang, Xiaowen,Steele, Andrew D.,Csatary, Erika E.,Dekarske, Madeline M.,Rosen, Jake L.,De Queiroz Ribeiro, Noelly,Lee, Kiho,Port, Jenna,Fuchs, Beth Burgwyn,Vlahovska, Petia M.,Wuest, William M.,Gao, Huajian,Ausubel, Frederick M.,Mylonakis, Eleftherios. "A selective membrane-targeting repurposed antibiotic with activity against persistent methicillin-resistant Staphylococcus aureus". . p. 16529 - 16534. Retrieved 2019/08/20.