N-(Phenylcarbamothioyl)pent-4-ynamide

Base Information

Chemical Name:N-(Phenylcarbamothioyl)pent-4-ynamide
CAS No.:112404-85-0
Molecular Formula:C₁₂H₁₂N₂OS
Molecular Weight:232.306
Hs Code.:
DSSTox Substance ID:DTXSID40548835
Wikidata:Q82427671

Synonyms:N-(Phenylcarbamothioyl)pent-4-ynamide;112404-85-0;DTXSID40548835

Suppliers and Price of N-(Phenylcarbamothioyl)pent-4-ynamide

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 1 raw suppliers

Chemical Property of N-(Phenylcarbamothioyl)pent-4-ynamide

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:232.06703418
Heavy Atom Count:16
Complexity:299

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCCC(=O)NC(=S)NC1=CC=CC=C1

Technology Process of N-(Phenylcarbamothioyl)pent-4-ynamide

There total 3 articles about N-(Phenylcarbamothioyl)pent-4-ynamide 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: 26.0%

: 112404-82-7
4-pentinoyl isothiocyanate

: 62-53-3
aniline

: 110936-96-4
4-pentinoic acid anilide

: 27248-14-2
anilinum thiocyanate

: 112404-85-0
N-phenyl-N'-(4-pentinoyl)thiourea

Guidance literature:: In benzene; for 1.5h; Ambient temperature;

Reference yield:

: 6089-09-4
4-pentynoic acid

: 112404-85-0
N-phenyl-N'-(4-pentinoyl)thiourea

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / SOCl₂ / Ambient temperature; overnight

2: 75 percent / Pb(SCN)2 / benzene / 1 h / 90 °C

3: 26 percent / benzene / 1.5 h / Ambient temperature

With thionyl chloride; lead(II) thiocyanate; In benzene;

Reference yield:

: 55183-44-3
4-pentynoic chloride

: 112404-85-0
N-phenyl-N'-(4-pentinoyl)thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / Pb(SCN)2 / benzene / 1 h / 90 °C

2: 26 percent / benzene / 1.5 h / Ambient temperature

With lead(II) thiocyanate; In benzene;