1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea

Base Information

Chemical Name:1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
CAS No.:67526-44-7
Molecular Formula:C13H12N4S
Molecular Weight:256.331
Hs Code.:
NSC Number:215613
DSSTox Substance ID:DTXSID60425932
ChEMBL ID:CHEMBL4744781

Synonyms:NSC215613;67526-44-7;1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea;CHEMBL4744781;DTXSID60425932;STK988766;AKOS003452522;NSC-215613;(2E)-N-phenyl-2-(pyridin-4-ylmethylidene)hydrazinecarbothioamide

Suppliers and Price of 1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]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 7 raw suppliers

Chemical Property of 1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea

Chemical Property:

Vapor Pressure:5.14E-07mmHg at 25°C
Boiling Point:412.5°C at 760 mmHg
Flash Point:203.3°C
Density:1.2g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:256.07826757
Heavy Atom Count:18
Complexity:281

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)NC(=S)NN=CC2=CC=NC=C2
Isomeric SMILES:C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=NC=C2

Technology Process of 1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea

There total 3 articles about 1-phenyl-3-[(E)-pyridin-4-ylmethylideneamino]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: 78.0%

: 872-85-5
pyridine-4-carbaldehyde

: 5351-69-9
4-Phenyl-3-thiosemicarbazide

: 67526-44-7
(E)-N-phenyl-2-(pyridin-4-ylmethylene)hydrazine-1-carbothioamide

Guidance literature:: With acetic acid; In methanol; for 2h; Reflux;
DOI:10.1016/j.ejmech.2020.112349

Reference yield:

: 103-72-0
phenyl isothiocyanate

: 67526-44-7
(E)-N-phenyl-2-(pyridin-4-ylmethylene)hydrazine-1-carbothioamide

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazine hydrate / methanol / Reflux

2: acetic acid / methanol / 2 h / Reflux

With hydrazine hydrate; acetic acid; In methanol;
DOI:10.1016/j.ejmech.2020.112349

Reference yield:

: 62-53-3
aniline

: 67526-44-7
(E)-N-phenyl-2-(pyridin-4-ylmethylene)hydrazine-1-carbothioamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: triethylamine / tetrahydrofuran / 3 h / 20 °C

1.2: 0.3 h / 20 °C

2.1: hydrazine hydrate / methanol / Reflux

3.1: acetic acid / methanol / 2 h / Reflux

With hydrazine hydrate; acetic acid; triethylamine; In tetrahydrofuran; methanol;
DOI:10.1016/j.ejmech.2020.112349