Propyl thiocyanate

Base Information

• Chemical Name: Propyl thiocyanate
• CAS No.: 4251-16-5
• Molecular Formula: C4H7NS
• Molecular Weight: 101.172
• Hs Code.: 2930909090
• European Community (EC) Number: 224-214-0
• DSSTox Substance ID: DTXSID30962541
• Nikkaji Number: J117.061I
• Wikidata: Q72503045
• Mol file: 4251-16-5.mol

Synonyms:Propyl thiocyanate;4251-16-5;Thiocyanic acid, propyl ester;EINECS 224-214-0;Propylthiocyanate;thiocyanato-propane;1-thiocyanatopropane;Propane, 1-thiocyanato-;(propylsulfanyl)carbonitrile;thiocyanic acid propyl ester;SCHEMBL6239575;DTXSID30962541;AKOS006273940;FT-0693886;A826972

Chemical Property of Propyl thiocyanate

Chemical Property:

• Vapor Pressure: 1.94mmHg at 25°C
• Refractive Index: 1.471
• Boiling Point: 164.7 °C at 760 mmHg
• Flash Point: 53.4 °C
• PSA: 49.09000
• Density: 0.992 g/cm³
• LogP: 1.61068
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 101.02992040
• Heavy Atom Count: 6
• Complexity: 61.2

Purity/Quality:

99% ^*data from raw suppliers

PROPYL THIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCSC#N

Technology Process of Propyl thiocyanate

There total 10 articles about Propyl thiocyanate 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: 95.0%

2-hydroxy-N,N,N-tributylethanaminium thiocyanate + propyl bromide (106-94-5) → propyl thiocyanate (4251-16-5)

Guidance literature:

at 45 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.07.222

Reference yield:

potassium thioacyanate (333-20-0) + propyl bromide (106-94-5) → propyl thiocyanate (4251-16-5)

Guidance literature:

With ethanol; Darstellung;

DOI:10.1039/jr9480001809

Reference yield:

2-propoxy-4,5-benzo-1,3,2-dioxaphospholane (69626-76-2) → propyl thiocyanate (4251-16-5)

Guidance literature:

With chlorine; Yield given. Multistep reaction;

DOI:10.1016/S0040-4020(01)88637-3

upstream raw materials:

bromocyane

ethyl propyl sulfide

1-Chloropropane

potassium thioacyanate

Downstream raw materials:

n-propanesulfonyl chloride

dibenzyl disulphide

Dipropyl disulfide

O,O-dipropyl phosphoroisothiocyanatidothioate

Refernces

• 1、 Mohanazadeh, Farajollah,Aghvami, Magid. "2-Hydroxy-N,N,N-tributylethanaminium thiocyanate as solvent and reagent for the preparation of alkyl thiocyanates". . p. 7240 - 7242. Retrieved 2008/03/11.
• 2、 Rybin, A. G.,Zil'berman, E. N.,Zhivoderov, A. V.. "REACTIONS OF ORGANIC THIOCYANATES WITH NUCLEOPHILIC REAGENTS IV. SYNTHESIS OF DISULFIDES". . p. 1677 - 1680. Retrieved 2007/10/02.