Thiothixene

Base Information

• Chemical Name: Thiothixene
• CAS No.: 5591-45-7
• Molecular Formula: C23H29 N3 O2 S2
• Molecular Weight: 443.634
• European Community (EC) Number: 227-001-0
• DSSTox Substance ID: DTXSID6023658
• Wikidata: Q27165402
• NCI Thesaurus Code: C47752
• RXCUI: 10510
• ChEMBL ID: CHEMBL2355126
• Mol file: 5591-45-7.mol

Synonyms:Navane;Thiothixene;Tiotixene

Chemical Property of Thiothixene

Chemical Property:

• Vapor Pressure: 2.62E-14mmHg at 25°C
• Melting Point: 114-118oC
• Refractive Index: 1.6560 (estimate)
• Boiling Point: 599°Cat760mmHg
• Flash Point: 316.1°C
• PSA: 77.54000
• Density: 1.269g/cm³
• LogP: 4.42730
• 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:

98%,99%, ^*data from raw suppliers

Thiothixene >98% ^*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: CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
• Recent ClinicalTrials: Family Intervention in Recent Onset Schizophrenia Treatment (FIRST)

Technology Process of Thiothixene

There total 1 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:

→ thiothixene (5591-45-7,3313-26-6)

Guidance literature:

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

Refernces