Thiocoumarin

Base Information Edit

Chemical Name:Thiocoumarin
CAS No.:3986-98-9
Molecular Formula:C9H6OS
Molecular Weight:162.212
Hs Code.:
UNII:CM773J3THB
Wikidata:Q27093456
Metabolomics Workbench ID:147046
Mol file:3986-98-9.mol

Synonyms:THIOCOUMARIN;CM773J3THB;SCHEMBL929244;DB02462;FC1;4-[3-(dimethylamino)propoxy]-2H-thiochromen-2-one;Q27093456

Suppliers and Price of Thiocoumarin

Supply Marketing:Edit

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

American Custom Chemicals Corporation
2H-1-BENZOPYRAN-2-THIONE 95.00%
5MG
$ 496.82

Total 3 raw suppliers

Chemical Property of Thiocoumarin Edit

Chemical Property:

Vapor Pressure:0.034mmHg at 25°C
Melting Point:97 °C
Boiling Point:250.6°Cat760mmHg
Flash Point:105.3°C
PSA：45.23000
Density:1.29g/cm³
LogP:3.16230
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:263.09799996
Heavy Atom Count:18
Complexity:328

Purity/Quality:

99%min ^*data from raw suppliers

2H-1-BENZOPYRAN-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCCOC1=CC(=O)SC2=CC=CC=C21

Technology Process of Thiocoumarin

There total 9 articles about Thiocoumarin 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: 100.0%

: 91-64-5
coumarin

: 3986-98-9
2-thiocoumarin

Guidance literature:: With tetraphosphorus decasulfide; In 5,5-dimethyl-1,3-cyclohexadiene; for 12h; Inert atmosphere; Reflux;
DOI:10.1016/j.tet.2010.05.100

Reference yield: 63.0%

: 12086-84-9
benzothiaferrole

: 3986-98-9
2-thiocoumarin

: 7439-89-6
iron

: 95-15-8,11095-43-5
Benzo[b]thiophene

Guidance literature:: flash vac. pyrolysis in a Pyrex tube connected with a cold trap (E-5 Torr, 285-315°C); coating of the hot zone by Fe, rinsing of trap with acetone, GC;
DOI:10.1021/om00095a024