N-phenylpiperidine-1-carbothioamide

Base Information

• Chemical Name: N-phenylpiperidine-1-carbothioamide
• CAS No.: 2762-59-6
• Molecular Formula: C12H16 N2 S
• Molecular Weight: 220.338
• Hs Code.: 2933399090
• European Community (EC) Number: 666-659-7
• NSC Number: 100969,16198
• DSSTox Substance ID: DTXSID10351358
• Nikkaji Number: J122.317H
• ChEMBL ID: CHEMBL1332696
• Mol file: 2762-59-6.mol

Synonyms:N-phenylpiperidine-1-carbothioamide;2762-59-6;N-Phenyl-1-piperidinecarbothioamide;1-Piperidinecarboxanilide, thio-;1-(Phenylthiocarbamoyl)piperidine;1-Piperidinecarbothioamide, N-phenyl-;N-Phenylthiocarbamoylpiperidine;1-(1-Piperidyl)thioformanilide;N-Phenyl-N',N'-cyclopentamethylenethiourea;N-Phenyl-N',N'-cyclopentamethylenethiocarbamide;NSC16198;(phenylamino)piperidylmethane-1-thione;Piperidine-1-carbothioic acid phenylamide;TimTec1_001580;MLS000563837;SCHEMBL1651693;CHEMBL1332696;REGID_for_CID_698365;DTXSID10351358;VYTYEDNCIFTZDH-UHFFFAOYSA-N;HMS1538H18;HMS2384A10;CAA76259;NSC-16198;NSC100969;STK055575;AKOS000489315;NSC-100969;1,1-Pentamethylene-3-phenyl-2-thiourea;NCGC00174280-01;SMR000176149;EN300-40316;SR-01000397814;SR-01000397814-1;Z45791044

Chemical Property of N-phenylpiperidine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 0.000218mmHg at 25°C
• Boiling Point: 326.3°Cat760mmHg
• Flash Point: 151.1°C
• PSA: 47.36000
• Density: 1.197g/cm³
• LogP: 2.88020
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.10341969
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

N-phenylpiperidine-1-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=S)NC2=CC=CC=C2

Technology Process of N-phenylpiperidine-1-carbothioamide

There total 10 articles about N-phenylpiperidine-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: 99.0%

piperidine (110-89-4) + phenyl isothiocyanate (103-72-0) → N-phenylpiperidine-1-carbothioamide (2762-59-6)

Guidance literature:

In neat (no solvent); at 25 ℃; for 0.166667h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 97.0%

piperidine (110-89-4) + tert-butyl phenylcarbamodithioate (92147-65-4) → N-phenylpiperidine-1-carbothioamide (2762-59-6)

Guidance literature:

In neat (no solvent); at 60 ℃; for 1h;

DOI:10.1016/j.tetlet.2016.11.082

Reference yield: 83.0%

piperidine (110-89-4) + carbon disulfide (75-15-0,12122-00-8) + aniline (62-53-3) → N-phenylpiperidine-1-carbothioamide (2762-59-6)

Guidance literature:

piperidine; carbon disulfide; With triethylamine; In acetonitrile; at 0 - 20 ℃; for 0.416667h;

aniline; In acetonitrile; at 80 ℃; for 6h;

DOI:10.1039/c2ra23257j

upstream raw materials:

piperidine

phenyl isothiocyanate

bis(piperidinothiocarbonyl)disulfide

aniline

Downstream raw materials:

piperidine

N,N-diphenylthiourea

6-piperidino-2-trifluoromethyl-2,5-diphenyl-2H-1,3,5-thiadiazin-5-io-4-olate

C₂₁H₂₅N₃O₂S₃