Propargyl isothiocyanate

Base Information

Chemical Name:Propargyl isothiocyanate
CAS No.:24309-48-6
Molecular Formula:C₄H₃NS
Molecular Weight:97.1405
Hs Code.:2930909090
European Community (EC) Number:817-748-6,671-324-3
DSSTox Substance ID:DTXSID20179045
Nikkaji Number:J1.535.517D
ChEMBL ID:CHEMBL401514
Mol file:24309-48-6.mol

Synonyms:Propargyl isothiocyanate;3-isothiocyanatoprop-1-yne;24309-48-6;2-Propynyl thiocyanate;Thiocyanic acid, 2-propynyl ester;54122-88-2;Propargylisothiocyanate;CHEMBL401514;C4H3NS;BRN 1735709;0-03-00-00178 (Beilstein Handbook Reference);3-Isothiocyanato-1-propyne #;XCXOHPXTLZMKQJ-UHFFFAOYSA-;DTXSID20179045;XCXOHPXTLZMKQJ-UHFFFAOYSA-N;BDBM50203068;MFCD00060417;AKOS000211995;FT-0682056;EN300-112450;A817211;InChI=1/C4H3NS/c1-2-3-5-4-6/h1H,3H2;J-015441;Z323038598

Suppliers and Price of Propargyl isothiocyanate

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

TRC
Propargylisothiocyanate
100mg
$ 60.00

American Custom Chemicals Corporation
PROPARGYL ISOTHIOCYANATE 95.00%
5G
$ 1056.83

American Custom Chemicals Corporation
PROPARGYL ISOTHIOCYANATE 95.00%
1G
$ 667.59

Total 8 raw suppliers

Chemical Property of Propargyl isothiocyanate

Chemical Property:

Vapor Pressure:4.76mmHg at 25°C
Boiling Point:43 °C
Flash Point:35.6°C
PSA：44.45000
Density:1,06 g/cm3
LogP:0.72240
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:96.99862027
Heavy Atom Count:6
Complexity:113

Purity/Quality:

97% ^*data from raw suppliers

Propargylisothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 23/24/25
Safety Statements: 23-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCN=C=S

Technology Process of Propargyl isothiocyanate

There total 6 articles about Propargyl isothiocyanate 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: