1,2-Bis(benzylthio)acetylene

Base Information

Chemical Name:1,2-Bis(benzylthio)acetylene
CAS No.:79208-53-0
Molecular Formula:C16H14 S2
Molecular Weight:270.41236
Hs Code.:
European Community (EC) Number:684-905-1
NSC Number:140345
DSSTox Substance ID:DTXSID80300999
Nikkaji Number:J2.343.245E
Wikidata:Q82044489
ChEMBL ID:CHEMBL2143118
Mol file:79208-53-0.mol

Synonyms:MLS002920509;79208-53-0;NSC140345;SCHEMBL44259;Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis-;CHEMBL2143118;DTXSID80300999;NSC-140345;SMR001798098

Suppliers and Price of 1,2-Bis(benzylthio)acetylene

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

American Custom Chemicals Corporation
1,2-BIS(BENZYLTHIO)ACETYLENE 95.00%
5MG
$ 497.65

Total 7 raw suppliers

Chemical Property of 1,2-Bis(benzylthio)acetylene

Chemical Property:

Melting Point:52-56 °C
Boiling Point:414.7oC at 760 mmHg
Flash Point:208.3oC
PSA：50.60000
Density:1.19g/cm3
LogP:4.77160
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:270.05369279
Heavy Atom Count:18
Complexity:248

Purity/Quality:

99% ^*data from raw suppliers

1,2-BIS(BENZYLTHIO)ACETYLENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSC#CSCC2=CC=CC=C2

Technology Process of 1,2-Bis(benzylthio)acetylene

There total 9 articles about 1,2-Bis(benzylthio)acetylene 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%

: 950578-43-5
bis(trimethylsilylethylthio)acetylene

: 100-39-0
benzyl bromide

: 79208-53-0,93975-09-8
bis(benzylsulfanyl)acetylene

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 12h;
DOI:10.1002/ejoc.200601107

Reference yield:

: 18212-32-3
ethynylsulfanylmethylbenzene

: 100-39-0
benzyl bromide

: 79208-53-0,93975-09-8
bis(benzylsulfanyl)acetylene

Guidance literature:: ethynylsulfanylmethylbenzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.166667h;

With sulfur; In diethyl ether; hexane; at -78 - 20 ℃;

benzyl bromide; In diethyl ether; hexane; at 0 - 20 ℃; Further stages.;
DOI:10.1002/ejoc.200601107

Reference yield:

: 100-39-0
benzyl bromide

: 79208-53-0,93975-09-8
bis(benzylsulfanyl)acetylene

Guidance literature:: Multi-step reaction with 3 steps

1.1: nBuLi / diethyl ether; hexane / 0.25 h / -78 °C

1.2: S₈ / diethyl ether; hexane / -78 - 20 °C

1.3: 86 percent / diethyl ether; hexane / 0 - 20 °C

2.1: 99 percent / Bu₄NF / tetrahydrofuran; methanol / 72 h / 20 °C

3.1: nBuLi / diethyl ether; hexane / 0.17 h / -78 °C

3.2: S₈ / diethyl ether; hexane / -78 - 20 °C

3.3: diethyl ether; hexane / 0 - 20 °C

With n-butyllithium; tetrabutyl ammonium fluoride; In tetrahydrofuran; methanol; diethyl ether; hexane;
DOI:10.1002/ejoc.200601107