3-Pyridinepropanethiol

Base Information

Chemical Name:3-Pyridinepropanethiol
CAS No.:69603-49-2
Molecular Formula:C8H11NS
Molecular Weight:153.248
Hs Code.:2933399990
DSSTox Substance ID:DTXSID00296749
Wikidata:Q82037484
Mol file:69603-49-2.mol

Synonyms:3-Pyridinepropanethiol;69603-49-2;3-(pyridin-3-yl)propane-1-thiol;3-pyridin-3-ylpropane-1-thiol;SCHEMBL177920;DTXSID00296749;MVLCWAAJDXMPMW-UHFFFAOYSA-N;3-(3-Pyridyl)-1-propylmercaptan;F18019;EN300-1858748

Suppliers and Price of 3-Pyridinepropanethiol

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

Apolloscientific
3-(Pyridin-3-yl)propane-1-thiol
1g
$ 493.00

Apolloscientific
3-(Pyridin-3-yl)propane-1-thiol
250mg
$ 203.00

Total 6 raw suppliers

Chemical Property of 3-Pyridinepropanethiol

Chemical Property:

Boiling Point:92-99 °C(Press: 0.15 Torr)
PKA:10.26±0.10(Predicted)
PSA：51.69000
Density:1.049±0.06 g/cm3(Predicted)
LogP:1.94400
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:153.06122053
Heavy Atom Count:10
Complexity:85.3

Purity/Quality:

99% ^*data from raw suppliers

3-(Pyridin-3-yl)propane-1-thiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CN=C1)CCCS

Technology Process of 3-Pyridinepropanethiol

There total 7 articles about 3-Pyridinepropanethiol 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: 3.0%

: 420-12-2
thirane

: 108-99-6
3-Methylpyridine

: 69603-49-2
3-(pyridin-3'-yl)propanethiol

Guidance literature:: 3-Methylpyridine; With N,N,N,N,-tetramethylethylenediamine; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 0 ℃; Inert atmosphere;

thirane; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

With water; ammonium chloride; In tetrahydrofuran; hexane;
DOI:10.1016/j.tet.2010.11.003

Reference yield:

: 81124-48-3
methyl (E)-3-(3-pyridyl)acrylate

: 69603-49-2
3-(pyridin-3'-yl)propanethiol

Guidance literature:: Multi-step reaction with 5 steps

1: H₂ / 10 percent Pd/C / tetrahydrofuran / 2068.59 Torr

2: LiAlH₄ / tetrahydrofuran / 3 h / Heating

3: CBr₄; Ph₃P / CH₂Cl₂ / 24 h / 0 °C

4: ethanol / 24 h / Heating

5: NaOH / ethanol / 2 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; carbon tetrabromide; hydrogen; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1021/jm010556c