Tetraisothiocyanatosilane

Base Information

• Chemical Name: Tetraisothiocyanatosilane
• CAS No.: 6544-02-1
• Molecular Formula: C4N4 S4 Si
• Molecular Weight: 260.42
• Hs Code.: 2931900090
• European Community (EC) Number: 229-460-2
• DSSTox Substance ID: DTXSID0064410
• Nikkaji Number: J134.347E
• Wikidata: Q17334058
• Mol file: 6544-02-1.mol

Synonyms:Tetraisothiocyanatosilane;Silicon tetraisothiocyanate;6544-02-1;Silane, tetraisothiocyanato-;silicon isothiocyanate;Si (N C S)4;SCHEMBL6364301;DTXSID0064410;EINECS 229-460-2;MFCD00054206;AKOS015833668;S0421;T72785;Q17334058

Chemical Property of Tetraisothiocyanatosilane

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Boiling Point: 268.5°C at 760 mmHg
• Flash Point: 116.2°C
• PSA: 177.80000
• Density: 1.37g/cm³
• LogP: 1.83320
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 259.87750725
• Heavy Atom Count: 13
• Complexity: 303

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetraisothiocyanatosilane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=N[Si](N=C=S)(N=C=S)N=C=S)=S

Technology Process of Tetraisothiocyanatosilane

There total 8 articles about Tetraisothiocyanatosilane 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: 65.0%

ammonium thiocyanate + tetrachlorosilane (10026-04-7,53609-55-5) → silicon tetraisothiocyanate (6544-02-1)

Guidance literature:

In toluene; byproducts: NH4Cl; equiv. amts. of compds. reacted; elem. anal.;

DOI:10.1002/zaac.200300097

Reference yield:

silicon trichloro thiocyanate (18156-99-5) → tetrachlorosilane (10026-04-7,53609-55-5) + silicon tetraisothiocyanate (6544-02-1)

Guidance literature:

In neat (no solvent); SiCl3(CNS) is passed through a tube at 600°C;;

DOI:10.1021/ja01227a011

Reference yield:

silver thiocyanate (1701-93-5) → silicon trichloro isothiocyanate (18157-00-1) + silicon tetraisothiocyanate (6544-02-1)

Guidance literature:

With tetrachlorosilane;

upstream raw materials:

ammonium thiocyanate

silver thiocyanate

silicon trichloro isothiocyanate

tetrachlorosilane

Downstream raw materials:

3'-benzyloxymethyl-1'-thioxo-2',3',6',7'-tetrahydro-1'H-spiro[[1,3]dioxane-2,5'-pyrrolo[1,2-c]pyrimidine]-4'-carboxylic acid methyl ester

6-methyl-1-cyclohexenyl isothiocyanate

2-methyl-1-cyclohexenyl isothiocyanate

C₃₀H₂₄N₄O₂S₄Si

Refernces