Tiospirone

Base Information

Chemical Name:Tiospirone
CAS No.:87691-91-6
Molecular Formula:C24H32 N4 O2 S
Molecular Weight:440.6
Hs Code.:
UNII:35C6UMO5SR
DSSTox Substance ID:DTXSID90236558
Nikkaji Number:J22.910E
Wikipedia:Tiospirone
Wikidata:Q13415380
NCI Thesaurus Code:C73303
Pharos Ligand ID:WLZMQL5VQ648
Metabolomics Workbench ID:144627
ChEMBL ID:CHEMBL35057
Mol file:87691-91-6.mol

Synonyms:8-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-8-azaspiro(4.5)decane-7,9-dione hydrochloride;BM-13859-1;BMY 13859-1;MJ 13859;MJ-13859-1;tiaspirone;tiospirone

Suppliers and Price of Tiospirone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
TIOSPIRONE 95.00%
5MG
$ 505.46

Total 6 raw suppliers

Chemical Property of Tiospirone

Chemical Property:

Vapor Pressure:2.13E-14mmHg at 25°C
Boiling Point:600.9°C at 760 mmHg
Flash Point:317.2°C
PSA：84.99000
Density:1.29g/cm³
LogP:3.84870
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:440.22459745
Heavy Atom Count:31
Complexity:640

Purity/Quality:

99% ^*data from raw suppliers

TIOSPIRONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

Technology Process of Tiospirone

There total 10 articles about Tiospirone 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: 88.0%

: 1075-89-4
tetramethylene glutarimide

: 87691-94-9
8-(1,2-benzisothiazol-3-yl)-8-aza-5-azoniaspiro[4.5]decane bromide

: 87691-91-6
tiospirone

Guidance literature:: With 18-crown-6 ether; potassium carbonate; In toluene; for 22h; Heating;
DOI:10.1021/jm00153a010

Reference yield:

: 87691-87-0
3-(1-piperazinyl)-1,2-benzisothiazole

: 80827-62-9
8-(4-bromobutyl)-8-azaspiro[4.5]decane-7,9-dione

: 87691-91-6
tiospirone

Guidance literature:: With potassium iodide; potassium carbonate; In chloroform; acetonitrile;

Reference yield:

: 19602-82-5
2,2'-dithiodibenzoic acid dichloride

: 87691-91-6
tiospirone

Guidance literature:: Multi-step reaction with 6 steps

1: Cl₂ / CH₂Cl₂

2: concd NH₄OH / CH₂Cl₂ / 1 h

3: 77 percent / POCl₃ / 3.5 h / 20 - 120 °C

4: 68 percent / 24 h / 125 °C

5: 91 percent / K₂CO₃, 18-crown-6 / aq. ethanol / 24 h / Heating

6: 88 percent / K₂CO₃, 18-crown-6 / toluene / 22 h / Heating

With ammonium hydroxide; 18-crown-6 ether; chlorine; potassium carbonate; trichlorophosphate; In ethanol; dichloromethane; toluene;
DOI:10.1021/jm00153a010