n,4-Diphenylpiperazine-1-carbothioamide

Base Information

• Chemical Name: n,4-Diphenylpiperazine-1-carbothioamide
• CAS No.: 2512-27-8
• Molecular Formula: C17H19 N3 S
• Molecular Weight: 297.424
• NSC Number: 88248
• DSSTox Substance ID: DTXSID90354867
• Nikkaji Number: J2.709.889D
• ChEMBL ID: CHEMBL1906473
• Mol file: 2512-27-8.mol

Synonyms:n,4-diphenylpiperazine-1-carbothioamide;2512-27-8;MLS002694824;1-Piperazinecarbothioamide, N,4-diphenyl-;NSC88248;(phenylamino)(4-phenylpiperazinyl)methane-1-thione;NCIOpen2_005199;Oprea1_257550;N,4-diphenyltetrahydro-1(2H)-pyrazinecarbothioamide;CHEMBL1906473;DTXSID90354867;HMS1676J19;HMS3085L24;MFCD00129553;NSC-88248;AKOS000579718;MS-6389;N,4-diphenyl-1-piperazinecarbothioamide;SMR001560743;CS-0328224

Chemical Property of n,4-Diphenylpiperazine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 3.94E-08mmHg at 25°C
• Boiling Point: 445.5°C at 760 mmHg
• Flash Point: 223.2°C
• Density: 1.243g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 297.12996879
• Heavy Atom Count: 21
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3

Technology Process of n,4-Diphenylpiperazine-1-carbothioamide

There total 3 articles about n,4-Diphenylpiperazine-1-carbothioamide 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-phenyl-1-piperazine (92-54-6) + phenyl isothiocyanate (103-72-0) → 4-phenyl-piperazine-1-carbothioic acid phenylamide (2512-27-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/ol900958z

Reference yield: 70.0%

C20H27N5 + phenyl isothiocyanate (103-72-0) → 4-phenyl-piperazine-1-carbothioic acid phenylamide (2512-27-8)

Guidance literature:

In dichloromethane; at 0 ℃;

DOI:10.1007/s00044-015-1369-x

Reference yield:

→ 4-phenyl-piperazine-1-carbothioic acid phenylamide (2512-27-8)

Guidance literature:

N-Phenyl-piperazin, Bzl., Phenylisothiocyanat, Bzl., Δ;

upstream raw materials:

4-phenyl-1-piperazine

phenyl isothiocyanate

Downstream raw materials:

[Ru(η6-cym)(PPh3)(κ2N,S-PhNC(S)NC4H8NPh)]BPh4

2-(4-phenylpiperazine-1-yl)benzo[d]thiazole

C₃₄H₃₆N₆S

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