Thiothixene

Base Information

• Chemical Name: Thiothixene
• CAS No.: 3313-26-6
• Molecular Formula: C₂₃H₂₉N₃O₂S₂
• Molecular Weight: 443.634
• Hs Code.: 2935904000
• European Community (EC) Number: 227-001-0,633-368-1,806-323-0
• UNII: 7318FJ13YJ
• DSSTox Substance ID: DTXSID2091542
• Nikkaji Number: J902D
• Wikipedia: Tiotixene
• Wikidata: Q2608288
• NCI Thesaurus Code: C47752
• RXCUI: 10510
• Pharos Ligand ID: NKTXZPJG3MD6
• Metabolomics Workbench ID: 43607
• ChEMBL ID: CHEMBL1201
• Mol file: 3313-26-6.mol

Synonyms:Navane;Thiothixene;Tiotixene

Chemical Property of Thiothixene

Chemical Property:

• Appearance/Colour: yellow to yellow with a tan cast powder
• Vapor Pressure: 2.62E-14mmHg at 25°C
• Melting Point: 147～152℃
• Refractive Index: 1.643
• Boiling Point: 599 °C at 760 mmHg
• PKA: pKa 7.67 (Uncertain);7.97 (Uncertain)
• Flash Point: 316.1 °C
• PSA: 77.54000
• Density: 1.269 g/cm³
• LogP: 4.42730
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 443.17011952
• Heavy Atom Count: 30
• Complexity: 711

Purity/Quality:

99%, ^*data from raw suppliers

(Z)-Thiothixene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
• Isomeric SMILES: CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
• Recent ClinicalTrials: Family Intervention in Recent Onset Schizophrenia Treatment (FIRST)
• Uses: antipsychotic Thiothixene displays a specific chemical and pharmacological similarity to piperazine derivatives of the phenothiazine series, and is used for treating psychotic disorders. The indications for using thiothixene are the same as for chlorprothixene. Thiothixene is a modulator of human P-glycoprotein and is frequently used a an anti-psychotic.
• Therapeutic Function: Tranquilizer

Technology Process of Thiothixene

There total 2 articles about Thiothixene 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:

→ (E)-Thiothixene (3313-27-7,3313-26-6)

Guidance literature:

Reference yield:

→ thiothixene (5591-45-7,3313-26-6)

Guidance literature:

2-(N,N-Dimethylsulfamoyl)-9-(2-propenyliden)thioxanthen, N-Methyl-piperazin (120grad);

Refernces

• 1、 Muren,Bloom. "Thioxanthene psychopharmacological agents. II. 9-(3-aminopropylidene)-N,N-dimethylthioxanthene-2-sulfonamides.". . p. 17 - 23. Retrieved 2007/10/04.