1-tert-Pentyl-3-(3-pyridyl)-2-thiourea

Base Information

Chemical Name:1-tert-Pentyl-3-(3-pyridyl)-2-thiourea
CAS No.:60560-51-2
Molecular Formula:C11H17N3S
Molecular Weight:223.34
Hs Code.:
DSSTox Substance ID:DTXSID70976001
Nikkaji Number:J489.404I
Wikidata:Q82960745
ChEMBL ID:CHEMBL74146
Mol file:60560-51-2.mol

Synonyms:1-tert-Pentyl-3-(3-pyridyl)-2-thiourea;60560-51-2;Urea, 1-tert-pentyl-3-(3-pyridyl)-2-thio-;CHEMBL74146;SCHEMBL6067893;DTXSID70976001;OOMNTCDXCPXWOL-UHFFFAOYSA-N;LS-160617;1-(3-Pyridinyl)-3-(2,2-dimethylpropyl)thiourea;1-(3-pyridyl)-3-(2,2-dimethylpropyl)-thiourea;N'-(2,2-Dimethylpropyl)-N-pyridin-3-ylcarbamimidothioic acid

Suppliers and Price of 1-tert-Pentyl-3-(3-pyridyl)-2-thiourea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1-tert-Pentyl-3-(3-pyridyl)-2-thiourea

Chemical Property:

Vapor Pressure:0.000295mmHg at 25°C
Boiling Point:321.6°C at 760 mmHg
PKA:11.66±0.70(Predicted)
Flash Point:148.3°C
PSA：69.04000
Density:1.125g/cm³
LogP:2.87800
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:223.11431873
Heavy Atom Count:15
Complexity:210

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)CNC(=S)NC1=CN=CC=C1

Technology Process of 1-tert-Pentyl-3-(3-pyridyl)-2-thiourea

There total 2 articles about 1-tert-Pentyl-3-(3-pyridyl)-2-thiourea 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: 67.0%

: 17452-27-6
pyridin-3-yl isothiocyanate

: 5813-64-9
2.2-dimethylpropylamine

: 60560-51-2
1-(2,2-dimethyl-propyl)-3-pyridin-3-yl-thiourea

Guidance literature:: In ethanol; at 20 ℃; for 2h;
DOI:10.1021/jm00090a025

Reference yield:

: 17452-27-6
pyridin-3-yl isothiocyanate

: 5813-64-9
2.2-dimethylpropylamine

: 549521-42-8
1-(2,2-dimethyl-propyl)-3-pyridin-3-yl-2-thioxo-imidazolidine-4,5-dione

: 60560-51-2
1-(2,2-dimethyl-propyl)-3-pyridin-3-yl-thiourea

Guidance literature:: In tetrahydrofuran;

Reference yield:

: 60560-51-2
1-(2,2-dimethyl-propyl)-3-pyridin-3-yl-thiourea

: 60559-99-1
C₁₂H₁₇N₅

Guidance literature:: Multi-step reaction with 2 steps

1: PPh₃, Et₃N, CCl₄ / CH₂Cl₂ / 4 h / Heating

2: N-ethyldiisopropylamine / 18 h / 35 °C

With tetrachloromethane; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In dichloromethane;
DOI:10.1021/jm00090a025