2-(Benzylsulfanyl)benzene-1-thiol

Base Information Edit

Chemical Name:2-(Benzylsulfanyl)benzene-1-thiol
CAS No.:116089-38-4
Molecular Formula:C13H12S2
Molecular Weight:232.37
Hs Code.:
DSSTox Substance ID:DTXSID00549767
Wikidata:Q82428906
Mol file:116089-38-4.mol

Synonyms:116089-38-4;2-(Benzylsulfanyl)benzene-1-thiol;SCHEMBL8148885;DTXSID00549767

Suppliers and Price of 2-(Benzylsulfanyl)benzene-1-thiol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 2-(Benzylsulfanyl)benzene-1-thiol Edit

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:232.03804273
Heavy Atom Count:15
Complexity:175

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSC2=CC=CC=C2S

Technology Process of 2-(Benzylsulfanyl)benzene-1-thiol

There total 3 articles about 2-(Benzylsulfanyl)benzene-1-thiol 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: 70.0%

: iron(II) chloride tetrahydrate

: 109-72-8
n-butyllithium

: 100-44-7
benzyl chloride

: 17534-15-5
Benzene-1,2-dithiol

: 116089-38-4
2-(Benzylthio)thiophenol

Guidance literature:: With hydrogenchloride; carbon monoxide; In tetrahydrofuran; under N2; reaction of dithiol and BuLi at -78 °C; addn. of Fe-salt at room temp.; CO introduced for 2h; benzyl chloride added; stirring for 1h at room temp.; evapn.; excess of benzyl chloride removed by hexane; HCl and THF added; refluxed for 2h;; evapn.; treatment with H2O/CCl4; organic layer dried (Na2SO4), filtered and evapd.; distn. (180-220 °C, vacuum); elem. anal.;;
DOI:10.1016/S0022-328X(00)99396-3

Reference yield:

: 100-44-7
benzyl chloride

: 17534-15-5
Benzene-1,2-dithiol

: 116089-38-4
2-(Benzylthio)thiophenol

Guidance literature:: With hydrogenchloride; sodium; iron(II) chloride; Yield given. Multistep reaction; 1.) MeOH, 5h, room temp., 2.) THF, 0.5h, reflux;
DOI:10.1016/S0022-328X(00)99396-3