Di(piperidin-1-yl)methanethione

Base Information

• Chemical Name: Di(piperidin-1-yl)methanethione
• CAS No.: 1013-92-9
• Molecular Formula: C11H20N2S
• Molecular Weight: 212.359
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50501350
• Nikkaji Number: J23.963A
• Wikidata: Q82353677
• Mol file: 1013-92-9.mol

Synonyms:Di(piperidin-1-yl)methanethione;1013-92-9;Methanethione, di-1-piperidinyl-;Piperidine, 1,1'-carbonothioylbis-;bis(pentamethylene)thiourea;SCHEMBL1276482;DTXSID50501350;BAA01392;MFCD29917065;AKOS027250580;SB43322;DS-10149;CS-0162541;C71070;A897177

Chemical Property of Di(piperidin-1-yl)methanethione

Chemical Property:

• Melting Point: 57.5-58.5 °C
• Boiling Point: 140-160 °C
• PKA: 1.80±0.20(Predicted)
• PSA: 38.57000
• Density: 1.116±0.06 g/cm3(Predicted)
• LogP: 2.11890
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 212.13471982
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

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

Di(piperidin-1-yl)methanethione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=S)N2CCCCC2

Technology Process of Di(piperidin-1-yl)methanethione

There total 7 articles about Di(piperidin-1-yl)methanethione 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: 24.0%

piperidine (110-89-4) + thiophosgene (463-71-8) → di(piperidin-1-yl)methanethione (1013-92-9)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h;

DOI:10.1134/S1068162021020291

Reference yield:

piperidine (110-89-4) + N,N’-dimethyl-N,N’-diphenylthiuram disulfide (10591-84-1) → hydrogen sulfide (7783-06-4) + di(piperidin-1-yl)methanethione (1013-92-9)

Guidance literature:

at 110 ℃;

Reference yield:

bis(piperidinothiocarbonyl)disulfide (94-37-1) → di(piperidin-1-yl)methanethione (1013-92-9)

Guidance literature:

at 250 ℃; Unter vermindertem Druck;

upstream raw materials:

piperidine

thiophosgene

bis(piperidinothiocarbonyl)disulfide

N,N’-dimethyl-N,N’-diphenylthiuram disulfide

Downstream raw materials:

N-benzoylpiperidine

C₁₂H₁₅N⁽¹⁸⁾O

(3,5-dimethylphenyl)(piperidin-1-yl)methanone

[1,1′-biphenyl]-4-yl(piperidin-1-yl)methanone

Refernces

• 1、 Caldin, Edward F.,Forest, L. de,Queen, Alan. "Steric and Repeated-collision Effects in Diffusion-controlled Reactions in Solution: Kinetics of Formation of some Iodine Donor-Acceptor Complexes of Sulphur Compounds". . p. 1549 - 1554. Retrieved 2007/10/02.