Butane, 1-(ethenylthio)-

Base Information

• Chemical Name: Butane, 1-(ethenylthio)-
• CAS No.: 4789-70-2
• Molecular Formula: C6H12S
• Molecular Weight: 116.227
• DSSTox Substance ID: DTXSID50197313
• Nikkaji Number: J859.601H
• Wikidata: Q83070213
• Mol file: 4789-70-2.mol

Synonyms:Butane, 1-(ethenylthio)-;1-(Butylsulfanyl)ethylene;4789-70-2;butyl vinyl sulfide;3-Thia-1-heptene;1-(Butylsulfanyl)ethylene #;SCHEMBL1337936;DTXSID50197313;LBMGSGLAWRZARD-UHFFFAOYSA-N

Chemical Property of Butane, 1-(ethenylthio)-

Chemical Property:

• Vapor Pressure: 5.23mmHg at 25°C
• Boiling Point: 149°Cat760mmHg
• Flash Point: 35.4°C
• PSA: 25.30000
• Density: 0.85g/cm³
• LogP: 2.66320
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 116.06597156
• Heavy Atom Count: 7
• Complexity: 41.4

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC=C

Technology Process of Butane, 1-(ethenylthio)-

There total 3 articles about Butane, 1-(ethenylthio)- 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: 97.0%

1-bromo-butane (109-65-9) + 2,2-diphenyl-1,3-dithiolane (6317-10-8) → butyl vinyl sulfide (4789-70-2) + diphenylmethyl n-butyl sulfane (35088-70-1)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; 1.) 1h, -15 deg C, 2.) -78 deg C; 1h, -5 to -10 deg C; 24h, RT;

DOI:10.1021/jo00155a044

Reference yield: 94.0%

1-bromo-butane (109-65-9) + 4-(2-Phenyl-[1,3]dithiolan-2-yl)-pyridine (84811-68-7) → butyl vinyl sulfide (4789-70-2) + 4-(1-Butylsulfanyl-1-phenyl-pentyl)-pyridine (84811-77-8)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; 1.) 1h, -15 deg C, 2.) -78 deg C; 1h, -5 to -10 deg C; 24h, RT;

DOI:10.1021/jo00155a044

Reference yield: 93.0%

1-iodo-butane (542-69-8) + 2-phenyl-2-p-tolyl-[1,3]dithiolane (76312-48-6) → butyl vinyl sulfide (4789-70-2) + 1-methyl-4-[phenyl(butylthio)methyl]-benzene (84811-73-4)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; 1.) 1h, -15 deg C, 2.) -78 deg C; 1h, -5 to -10 deg C; 24h, RT;

DOI:10.1021/jo00155a044

upstream raw materials:

1-bromo-butane

4-(2-Phenyl-[1,3]dithiolan-2-yl)-pyridine

1-iodo-butane

2-phenyl-2-p-tolyl-[1,3]dithiolane

Downstream raw materials:

Butyl-vinyl-sulfon

butyl vinyl sulfoxide

2-(butylthio)-3,4-dihydro-6-methyl-5-(phenylthio)-2H-pyran

thiophene