Thioxanthene

Base Information

• Chemical Name: Thioxanthene
• CAS No.: 261-31-4
• Molecular Formula: C13H10 S
• Molecular Weight: 198.288
• Hs Code.: 29349990
• European Community (EC) Number: 205-972-1
• UNII: 1J3P67894A
• DSSTox Substance ID: DTXSID20180732
• Nikkaji Number: J5.444E
• Wikipedia: Thioxanthene
• Wikidata: Q2628525
• Metabolomics Workbench ID: 57615
• ChEMBL ID: CHEMBL79451
• Mol file: 261-31-4.mol

Synonyms:6-thioxanthine;thioxanthine

Chemical Property of Thioxanthene

Chemical Property:

• Vapor Pressure: 0.000508mmHg at 25°C
• Melting Point: 128-131°C
• Refractive Index: 1.6720 (estimate)
• Boiling Point: 323°Cat760mmHg
• Flash Point: 146.3°C
• PSA: 25.30000
• Density: 1.197g/cm³
• LogP: 3.74200
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 198.05032149
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

Thioxanthene European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2SC3=CC=CC=C31
• General Description: Thioxanthene derivatives, such as 1- and 3-alkyl-9-(3-dimethylaminopropylidene)-thioxanthenes, exhibit notable psychotropic and antihistamine properties, with potential applications in treating CNS disorders, gastric hyperacidity, and ulcers. These compounds demonstrate pharmacological effects including central depressant, cataleptic, and antireserpine activities, influenced by the positioning of substituents on the thioxanthene core.

Technology Process of Thioxanthene

There total 45 articles about Thioxanthene 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: 100.0%

thio-xanthene-9-one (492-22-8) → thioxanthene (261-31-4)

Guidance literature:

With phenylphosphane; at 140 ℃; for 12h;

DOI:10.1246/bcsj.58.2577

Reference yield: 95.0%

9H-thioxanthene-10-monooxide (10133-81-0) → thioxanthene (261-31-4)

Guidance literature:

With aluminum (III) chloride; lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h; Reflux;

DOI:10.1246/cl.140960

Reference yield: 90.0%

thioxanthene-9-thione (3591-73-9) → thioxanthene (261-31-4)

Guidance literature:

With phenylphosphane; at 140 ℃; for 10h;

DOI:10.1246/bcsj.58.2577

upstream raw materials:

thio-xanthene-9-one

9H-thioxanthen-9-ol

2-(phenylthio)toluene

9-Cyanothioxanthene

Downstream raw materials:

dimethyl-(3-thioxanthen-9-yl-propyl)-amine

benzyl-methyl-(2-thioxanthen-9-yl-ethyl)-amine

thio-xanthene-9-one

9H-Thioxanthene 10,10-dioxide

Refernces

Potential psychotropic and anthistamine agents: 1- and 3-alkyl-9-(3-dimethylaminopropylidene)- thioxanthenes and 3-alkyl-11-piperazino-10,11-dihydrodibenzo[b,f]thiepins

10.1135/cccc19823134

The research explores the synthesis and pharmacological properties of various thioxanthene and dibenzo[b,f]thiepin derivatives. The study involves the use of chemicals such as 3-methylthiophenol, 3-ethylthiophenol, 2-iodobenzoic acid, (2-iodophenyl)acetic acid, potassium hydroxide, copper, sulfuric acid, polyphosphoric acid, 3-dimethylaminopropylmagnesium chloride, and various piperazine derivatives. These chemicals are used in a series of reactions to produce compounds with potential antihistamine and psychotropic activities. The synthesized compounds are tested for their pharmacological effects, including antihistamine activity, central depressant effects, cataleptic activity, and antireserpine activity. The research aims to investigate the impact of substituents in unusual positions on the pharmacological profiles of these compounds, with potential applications in treating conditions like gastric hyperacidity, ulcers, and central nervous system disorders.

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