Dipropargyl sulfide

Base Information

• Chemical Name: Dipropargyl sulfide
• CAS No.: 13702-09-5
• Molecular Formula: C6H6 S
• Molecular Weight: 110.18
• Hs Code.: 2930909090
• European Community (EC) Number: 811-832-6
• DSSTox Substance ID: DTXSID50333835
• Nikkaji Number: J932.267A
• Wikidata: Q82099392
• Mol file: 13702-09-5.mol

Synonyms:Dipropargyl sulfide;13702-09-5;propargyl sulfide;3-prop-2-ynylsulfanylprop-1-yne;3-(2-Propynylsulfanyl)-1-propyne;1-Propyne, 3,3'-thiobis-;4-thia-1,6-heptadiyne;SCHEMBL535083;DTXSID50333835;MFCD00048109;BS-43873;P2336;T71739;3-(PROP-2-YN-1-YLSULFANYL)PROP-1-YNE

Chemical Property of Dipropargyl sulfide

Chemical Property:

• Refractive Index: 1.5190 to 1.5230
• Boiling Point: 59°C/14mmHg(lit.)
• PSA: 25.30000
• LogP: 0.98600
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.01902136
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

Propargyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCSCC#C

Technology Process of Dipropargyl sulfide

There total 5 articles about Dipropargyl sulfide 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: 89.0%

propargyl bromide (106-96-7) → dipropargyl sulfide (13702-09-5)

Guidance literature:

With sodiumsulfide nonahydrate; In tert-butyl methyl ether; water; at 20 ℃; for 4h;

Reference yield: 39.0%

carbon disulfide (75-15-0,12122-00-8) + 2-propynyl chloride (624-65-7) → 4-methyl-1,3-dithiole-2-thione (3608-38-6) + dipropargyl sulfide (13702-09-5) + 4-methylene-[1,3]dithiolane-2-thione (19693-42-6) + Trithiocarbonic acid diprop-2-ynyl ester

Guidance literature:

With sodium sulfide; benzyltriethylammonium bromide; hydroquinone; at 20 ℃;

Reference yield: 39.0%

2-propynyl chloride (624-65-7) → 4-methyl-1,3-dithiole-2-thione (3608-38-6) + dipropargyl sulfide (13702-09-5) + 4-methylene-[1,3]dithiolane-2-thione (19693-42-6) + Trithiocarbonic acid diprop-2-ynyl ester

Guidance literature:

With carbon disulfide; sodium sulfide; benzyltriethylammonium bromide; at 20 ℃;

upstream raw materials:

propargyl bromide

carbon disulfide

2-propynyl chloride

Downstream raw materials:

1-Oxa-6-thia-3,8-cyclodecadiyne

[1,3,5]trithiane

3-[4-(3-{3-[4-(3-hydroxy-prop-1-ynyl)-phenyl]-prop-2-ynylsulfanyl}-prop-1-ynyl)-phenyl]-prop-2-yn-1-ol

3-[3-(3-{3-[3-(3-hydroxy-prop-1-ynyl)-phenyl]-prop-2-ynylsulfanyl}-prop-1-ynyl)-phenyl]-prop-2-yn-1-ol

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