4-Allylsulfanyl-phenol

Base Information

Chemical Name:4-Allylsulfanyl-phenol
CAS No.:5656-44-0
Molecular Formula:C9H10OS
Molecular Weight:166.244
Hs Code.:
DSSTox Substance ID:DTXSID80415890
Wikidata:Q82224954
Mol file:5656-44-0.mol

Synonyms:4-ALLYLSULFANYL-PHENOL;5656-44-0;4-(Allylthio)phenol;SCHEMBL314175;DTXSID80415890;LBKISISWVPNGGC-UHFFFAOYSA-N;AKOS010261520;4- (prop- 2- en- 1- ylsulfanyl) phenol;InChI=1/C9H10OS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6,10H,1,7H

Suppliers and Price of 4-Allylsulfanyl-phenol

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
4-(Prop-2-en-1-ylsulfanyl)phenol
10mg
$ 65.00

American Custom Chemicals Corporation
4-ALLYLSULFANYL-PHENOL 95.00%
5MG
$ 497.07

Total 3 raw suppliers

Chemical Property of 4-Allylsulfanyl-phenol

Chemical Property:

Melting Point:42-43 °C
Boiling Point:275.9±33.0 °C(Predicted)
PKA:9.61±0.26(Predicted)
PSA：45.53000
Density:1.13±0.1 g/cm3(Predicted)
LogP:2.67030
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.04523611
Heavy Atom Count:11
Complexity:117

Purity/Quality:: 4-(Prop-2-en-1-ylsulfanyl)phenol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCSC1=CC=C(C=C1)O

Technology Process of 4-Allylsulfanyl-phenol

There total 4 articles about 4-Allylsulfanyl-phenol 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: 95.0%

: 637-89-8
4-sulfanylphenol

: 106-95-6
allyl bromide

: 5656-44-0
4-(allylthio)phenol

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1021/ml100254e

Reference yield: 87.0%

: 35466-83-2
allyl methyl carbonate

: 637-89-8
4-sulfanylphenol

: 5656-44-0
4-(allylthio)phenol

Guidance literature:: With 1,4-di(diphenylphosphino)-butane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 12h;
DOI:10.1016/S0040-4039(00)74729-0

Reference yield: 78.0%

: 591-87-7
Allyl acetate

: 637-89-8
4-sulfanylphenol

: 5656-44-0
4-(allylthio)phenol

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 8h; chemoselective reaction; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.02.015