Thiocyclam

Base Information

• Chemical Name: Thiocyclam
• CAS No.: 31895-21-3
• Deprecated CAS: 84523-34-2
• Molecular Formula: C5H11NS3
• Molecular Weight: 181.347
• Hs Code.: 2934999022
• European Community (EC) Number: 608-676-4
• UNII: 9YQ0903F7V
• DSSTox Substance ID: DTXSID9047209
• Nikkaji Number: J1.882A
• Wikidata: Q15632827
• Metabolomics Workbench ID: 53167
• ChEMBL ID: CHEMBL1551939
• Mol file: 31895-21-3.mol

Synonyms:N,N-dimethyl-1,2,3-trithian-5-yl amine;N,N-dimethyl-1,2,3-trithian-5-yl amine hydrogen oxalate;thiocyclam

Chemical Property of Thiocyclam

Chemical Property:

• Vapor Pressure: 0.00372mmHg at 25°C
• Refractive Index: 1.636
• Boiling Point: 280.7°Cat760mmHg
• PKA: 7.0 (base)
• Flash Point: 123.6°C
• PSA: 79.14000
• Density: 1.27g/cm³
• LogP: 1.95980
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.00536288
• Heavy Atom Count: 9
• Complexity: 80.3

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1CSSSC1
• Uses: Thiocyclam is a pro-insecticide of the natural toxin nereistoxin and is rapidly converted into the latter in biological media. It has limited systemic activity with stomach and contact action. It causes paralysis by ganglionic blocking action on the insect central nervous system. It is used as the hydrogen oxalate salt. This is converted to the active nereistoxin, and its oxide in soils and plants and these are ultimately broken down into smaller molecules.

Technology Process of Thiocyclam

There total 1 articles about Thiocyclam 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:

1-thiopropane (107-03-9) + 1-(N,N-dimethylamino)-2,3-dichloropropane hydrochloride (50786-84-0) → nereistoxin (1631-58-9) + Dimethyl-(2-propyldisulfanyl-1-propyldisulfanylmethyl-ethyl)-amine (3950-63-8) + 5-dimethylamino-1,2,3-trithiane (31895-21-3,84523-34-2) + [2-(2-Dimethylamino-3-propyldisulfanyl-propyldisulfanyl)-1-propyldisulfanylmethyl-ethyl]-dimethyl-amine + Dipropyl disulfide (629-19-6)

Guidance literature:

With sodium hydroxide; sodium thiosulfate; sodium chloride; Mechanism; multistep reaction; reaction of organo-thiosulfates (BUNTE-salts) with mercaptans; other mercaptans;

upstream raw materials:

1-thiopropane

1-(N,N-dimethylamino)-2,3-dichloropropane hydrochloride

Refernces