Thioridazine 5-Sulfoxide

Base Information

• Chemical Name: Thioridazine 5-Sulfoxide
• CAS No.: 7776-05-8
• Molecular Formula: C21H26 N2 O S2
• Molecular Weight: 386.57
• UNII: YI69B9MW63
• DSSTox Substance ID: DTXSID80998951
• Nikkaji Number: J398.248C
• Wikidata: Q27294535
• ChEMBL ID: CHEMBL3544852
• Mol file: 7776-05-8.mol

Synonyms:thioridazine-5-oxide;thioridazine-5-sulfoxide;thioridazine-5-sulfoxide mononitrate, (R*,R*)-(+-)-isomer;thioridazine-5-sulfoxide mononitrate, (R*,S*)-(+-)-isomer;thioridazine-5-sulfoxide, (R*,R*)-(+-)-isomer;thioridazine-5-sulfoxide, (R*,S*)-(+-)-isomer

Chemical Property of Thioridazine 5-Sulfoxide

Chemical Property:

• Vapor Pressure: 1.06E-12mmHg at 25°C
• Melting Point: 117-126°C
• Boiling Point: 563°C at 760 mmHg
• Flash Point: 294.3°C
• PSA: 68.06000
• Density: 1.3g/cm³
• LogP: 5.76970
• Storage Temp.: -20?C Freezer
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 386.14865580
• Heavy Atom Count: 26
• Complexity: 502

Purity/Quality:

95% ^*data from raw suppliers

THIORIDAZINE-5-SULFOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1CCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)SC
• Uses: A major metabolite of Thioridazine (THD-5-SO)

Technology Process of Thioridazine 5-Sulfoxide

There total 3 articles about Thioridazine 5-Sulfoxide 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%

thioridazine (50-52-2,52496-67-0,57129-06-3,114488-10-7) → Thioridazine 5-sulfoxide (7776-05-8)

Guidance literature:

With hydrogenchloride; sodium periodate; In methanol;

DOI:10.1002/hlca.200590089

Reference yield:

thioridazine Hydrochloride (130-61-0) → Thioridazine 5-sulfoxide (7776-05-8)

Guidance literature:

With potassium dichromate; In water; at 25 ℃; for 1h;

Reference yield:

→ Thioridazine 5-sulfoxide (7776-05-8)

Guidance literature:

Thioridazin-HCl,NH4VO3;

upstream raw materials:

thioridazine

thioridazine Hydrochloride