1-Piperazinecarbodithioic acid

Base Information

• Chemical Name: 1-Piperazinecarbodithioic acid
• CAS No.: 99-00-3
• Molecular Formula: C5H10 N2 S2
• Molecular Weight: 162.28
• Hs Code.: 2933599090
• European Community (EC) Number: 202-720-2
• NSC Number: 31554,13506,5146
• UNII: 6Z6020Q81C
• DSSTox Substance ID: DTXSID5041279
• Nikkaji Number: J182.131H
• Wikidata: Q27265757
• Metabolomics Workbench ID: 48178
• ChEMBL ID: CHEMBL1407899
• Mol file: 99-00-3.mol

Synonyms:picadex

Chemical Property of 1-Piperazinecarbodithioic acid

Chemical Property:

• Vapor Pressure: 0.0339mmHg at 25°C
• Melting Point: 228 °C
• Boiling Point: 242.4°Cat760mmHg
• PKA: 3.19±0.20(Predicted)
• Flash Point: 100.4°C
• PSA: 86.16000
• Density: 1.246g/cm³
• LogP: 0.37300
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.02854067
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

99.9% ^*data from raw suppliers

PICADEX 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=S)S

Technology Process of 1-Piperazinecarbodithioic acid

There total 3 articles about 1-Piperazinecarbodithioic acid 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:

piperazine (110-85-0) + carbon disulfide (75-15-0,12122-00-8) → piperazine-1-carbodithioic acid (99-00-3) + piperazine-N,N'-biscarbodithioic acid (7526-03-6)

Guidance literature:

In dichloromethane; for 2h; Solvent; Inert atmosphere;

Reference yield:

piperazine (110-85-0) + carbon disulfide (75-15-0,12122-00-8) → piperazine-1-carbodithioic acid (99-00-3)

Guidance literature:

With ethanol;

Reference yield:

piperazine (110-85-0) + ethanol (64-17-5) → piperazine-1-carbodithioic acid (99-00-3)

Guidance literature:

upstream raw materials:

piperazine

carbon disulfide

ethanol

Downstream raw materials:

benzyl piperazine-1-carbodithioate

[Ru(C(CCPh)=CHPh)(CO)(PPh₃)2(piperazine dithiocarbamate)]Cl

[Ru(C(CCPh)=CHPh)(CS)(PPh₃)2(piperazine dithiocarbamate)]Cl

((C₆H₅)3PAu)2S₂CNC₄H₈NCS₂

Refernces

• 1、 Prakash, Om,Gautam, Priyanka,Kumar, Shiv,Singh, Pushkar,Dani,Bharty,Singh,Ghosh,Deckert,Singh, Ranjan K.. "Surface enhanced Raman scattering investigation of two novel piperazine carbodithioic acids adsorbed on Ag and ZnO nanoparticles". . p. 5571 - 5579. Retrieved 2015.