Dipentamethylenethiuram disulfide

Base Information

• Chemical Name: Dipentamethylenethiuram disulfide
• CAS No.: 94-37-1
• Molecular Formula: C12H20 N2 S4
• Molecular Weight: 320.568
• Hs Code.: 2933399090
• European Community (EC) Number: 202-328-1
• NSC Number: 527055,527035
• UNII: CR113982E5
• DSSTox Substance ID: DTXSID4048727
• Nikkaji Number: J76.258J
• Wikidata: Q27275671
• Pharos Ligand ID: JC9VSPH2836D
• Metabolomics Workbench ID: 154840
• ChEMBL ID: CHEMBL121516
• Mol file: 94-37-1.mol

Synonyms:bis(1-piperidylthiocarbonyl)disulfide

Chemical Property of Dipentamethylenethiuram disulfide

Chemical Property:

• Vapor Pressure: 7.97E-08mmHg at 25°C
• Melting Point: 115 °C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 436.6°C at 760 mmHg
• PKA: 0.89±0.20(Predicted)
• Flash Point: 217.9°C
• PSA: 121.26000
• Density: 1.337g/cm³
• LogP: 3.78520
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 320.05093334
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

99%, ^*data from raw suppliers

DicyclopentamethylenethiuramDisulfide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43-36/37/38
• Safety Statements: 37-26-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Rubber Additives
• Canonical SMILES: C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2
• Description: A rubber chemical contained in "thiuram mix". The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.
• Uses: Dipentamethylenethiuram disulfide is an accelerator and vulcanizing agent for latex (gloves) and butyl rubber. Dicyclopentamethylenethiuram Disulfide is a known rubber accelerator used during vulcanizing.

Technology Process of Dipentamethylenethiuram disulfide

There total 26 articles about Dipentamethylenethiuram disulfide 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: 94.2%

piperidine (110-89-4) + carbon disulfide (75-15-0,12122-00-8) → bis(piperidinothiocarbonyl)disulfide (94-37-1)

Guidance literature:

With oxygen; In isopropyl alcohol; at 50 ℃; for 0.5h; under 1275.13 Torr; Autoclave;

DOI:10.1080/00397910903537331

Reference yield: 93.0%

piperidine-1-carbodithioic acid (98-99-7) → bis(piperidinothiocarbonyl)disulfide (94-37-1)

Guidance literature:

With sodium perchlorate; In water; at 0 - 5 ℃; for 0.25h;

DOI:10.1080/00397919508010811

Reference yield: 81.0%

piperazine (110-85-0) + carbon disulfide (75-15-0,12122-00-8) → bis(piperidinothiocarbonyl)disulfide (94-37-1)

Guidance literature:

With carbon tetrabromide; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h; Cooling with ice;

DOI:10.1055/s-0028-1083199

upstream raw materials:

carbon disulfide

N,N'-thiodipiperidine

benzene

1,1'-dithiobispiperidine

Downstream raw materials:

di(piperidin-1-yl)methanethione

sodium piperidinedithiocarbamate

bis(1-piperidinylthiocarbonyl)sulfide

hydrogen sulfide

Refernces

• 1、 Chen, Cheng,Li, Jia-Qi,Sun, Le-Yun,Wu, Lin-Yu,Yang, Ke-Wu. "Disulfiram as a potent metallo-β-lactamase inhibitor with dual functional mechanisms". supporting information. p. 2755 - 2758. Retrieved 2020/03/17.
• 2、 Dutta, Soumya,Saha, Amit. "Iodine mediated direct coupling of benzylic alcohols with dithiocarbamate anions: An easy access of S-benzyl dithiocarbamate esters under neat reaction condition". . . Retrieved 2020/09/10.