Decyl thiocyanate

Base Information

• Chemical Name: Decyl thiocyanate
• CAS No.: 5349-20-2
• Molecular Formula: C11H21NS
• Molecular Weight: 199.36
• Hs Code.: 2930909090
• European Community (EC) Number: 623-774-7
• NSC Number: 1190
• UNII: U37IEW88R3
• DSSTox Substance ID: DTXSID00201671
• Nikkaji Number: J48.843G
• Wikidata: Q83074872
• Mol file: 5349-20-2.mol

Synonyms:Decyl thiocyanate;5349-20-2;Thiocyanic acid, decyl ester;Decylthiocyanate;Decylthiokyanat;Decane, 1-thiocyanato-;1-thiocyanatodecane;1-Thiocyanato-Decane;Decylthiokyanat [Czech];NSC 1190;BRN 1763550;AI3-01127;C11H21NS;U37IEW88R3;NSC-1190;1-thiocyanodecane;n-DECYL THIOCYANATE;(decylsulfanyl)carbonitrile;UNII-U37IEW88R3;WLN: NCS10;SCHEMBL3409351;DTXSID00201671;NSC1190;AKOS006280593;LS-152654

Chemical Property of Decyl thiocyanate

Chemical Property:

• Vapor Pressure: 8.54E-11mmHg at 25°C
• Boiling Point: 278.3°Cat760mmHg
• Flash Point: 122.1°C
• PSA: 49.09000
• Density: 0.916g/cm³
• LogP: 4.34138
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 199.13947085
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

99%min ^*data from raw suppliers

DECYL THIOCYANATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCSC#N

Technology Process of Decyl thiocyanate

There total 1 articles about Decyl 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:

Iododecane (2050-77-3) + benzyl thiocyanate (3012-37-1) → 1-thiocyanatodecane (5349-20-2) + iodomethylbenzene (620-05-3)

Guidance literature:

With polymer-benzyltributylphosphonium iodide; In toluene; at 90 ℃; for 10h; Equilibrium constant;

Reference yield: 85.0%

1-thiocyanatodecane (5349-20-2) → didecyl disulfide (10496-18-1)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 0.25h; Ambient temperature;

DOI:10.1016/S0040-4039(00)78510-8

Reference yield: 84.0%

1-thiocyanatodecane (5349-20-2) → decylthiol (143-10-2)

Guidance literature:

With samarium diiodide; water; In tetrahydrofuran;

DOI:10.1081/SCC-200028622

upstream raw materials:

Iododecane

benzyl thiocyanate

Downstream raw materials:

didecyl disulfide

S-decyl thiobenzoate

decyl chloride

Iododecane

Refernces