2-Ethynylthiane

Base Information

• Chemical Name: 2-Ethynylthiane
• CAS No.: 108277-04-9
• Molecular Formula: C₇H₁₀S
• Molecular Weight: 126.222
• DSSTox Substance ID: DTXSID401301966
• Mol file: 108277-04-9.mol

Synonyms:2-ethynylthiane;108277-04-9;2H-Thiopyran, 2-ethynyltetrahydro- (9CI);2-Ethynyltetrahydro-2H-thiopyran;DTXSID401301966;EN300-787696

Chemical Property of 2-Ethynylthiane

Chemical Property:

• Boiling Point: 80 - 82 °C (25 mmHg)
• PSA: 25.30000
• LogP: 1.90530
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.05032149
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1CCCCS1

Technology Process of 2-Ethynylthiane

There total 2 articles about 2-Ethynylthiane 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:

sulfure de pentamethylene (1613-51-0) → 2-Ethynyl-tetrahydro-thiopyran (108277-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chlorosuccinimide / benzene / 1 h

2: diethyl ether; benzene / 1 h / Ambient temperature

With N-chloro-succinimide; In diethyl ether; benzene;

Reference yield:

2-Chlorothiane (22342-04-7) + acetylenemagnesium bromide (4301-14-8) → 2-Ethynyl-tetrahydro-thiopyran (108277-04-9)

Guidance literature:

In diethyl ether; benzene; for 1h; Yield given; Ambient temperature;

upstream raw materials:

2-Chlorothiane

acetylenemagnesium bromide

sulfure de pentamethylene

Refernces