Bensultap

Base Information

• Chemical Name: Bensultap
• CAS No.: 17606-31-4
• Molecular Formula: C17H21 N O4 S4
• Molecular Weight: 431.622
• Hs Code.: 29309090
• European Community (EC) Number: 605-769-1
• UNII: 145Q2E77PJ
• DSSTox Substance ID: DTXSID6058001
• Nikkaji Number: J62.507H,J23.697G
• Wikidata: Q818194
• Metabolomics Workbench ID: 56192
• ChEMBL ID: CHEMBL2270410
• Mol file: 17606-31-4.mol

Synonyms:Bancol;bensultap

Chemical Property of Bensultap

Chemical Property:

• Vapor Pressure: 6.22E-14mmHg at 25°C
• Melting Point: 82 - 83oC
• Refractive Index: 1.7000 (estimate)
• Boiling Point: 590.8°Cat760mmHg
• PKA: 6.85±0.50(Predicted)
• Flash Point: 311.1°C
• PSA: 138.88000
• Density: 1.353g/cm³
• LogP: 5.32240
• Storage Temp.: 0-6°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 431.03534285
• Heavy Atom Count: 26
• Complexity: 558

Purity/Quality:

99% ^*data from raw suppliers

Bensultap ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2
• Description: Bensultap, S,S -2-dimethylaminotrimethylene di(benzenethiosulfonate) (IUPAC), M.W. 431.6, C17H21NO4S4, pale yellow crystalline powder. Solubility in water 0.7–0.8 mg/kg (30 ?C). Solubility in methanol 25 g/kg (25 ?C), in acetone, acetonitrile, and N,Ndimethyl formamide >1000 g/kg. Hydrolyzed in neutral or alkaline solution. It is an insecticide with contact and stomach action for control of major insect pests. Acts as a pro-insecticide or analog of nereistoxin. It inhibits the action of acetylcholine by blocking the receptor site at the post-synaptic membrane.
• Uses: Bensultap is an insecticide used in pesticidal compositions.

Technology Process of Bensultap

There total 2 articles about Bensultap 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: 98.0%

4-(N,N-dimethylamino)-1,2-dithiolane-1-oxide hydrochloride + sodium benzenesulfonate (873-55-2) → bancol (17606-31-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water;

Reference yield:

→ bancol (17606-31-4)

Guidance literature:

1-Dimethylamino-2,3-dichlor-propan*HCl, NaOEt, Na-benzolthiosulfonat;

Reference yield:

bancol (17606-31-4) + 1,8-diazabicyclo[5.4.0]undec-7-ene (6674-22-2,83329-50-4) + p-chlorobenzyl cyanide (140-53-4) → 2-cyano-2-(p-chlorophenyl)-5-(N,N-dimethylamino)-1,3-dithiane

Guidance literature:

In chloroform; toluene;

upstream raw materials:

sodium benzenesulfonate