Butane, 1-(propylthio)-

Base Information

• Chemical Name: Butane, 1-(propylthio)-
• CAS No.: 1613-46-3
• Molecular Formula: C7H16S
• Molecular Weight: 132.27
• Hs Code.: 2930909090
• NSC Number: 163955
• UNII: EU0Z2TZ9Q0
• DSSTox Substance ID: DTXSID30304028
• Nikkaji Number: J121.686D
• Wikidata: Q82049628
• Mol file: 1613-46-3.mol

Synonyms:Butane, 1-(propylthio)-;1613-46-3;4-Thiaoctane;Butyl propyl sulfide;1-propylsulfanylbutane;Sulfide, butyl propyl;N-BUTYL N-PROPYL SULFIDE;Propyl butyl sulfide;1-(Propylthio)butane;EU0Z2TZ9Q0;UNII-EU0Z2TZ9Q0;N-BUTYL N-PROPYL SULPHIDE;NSC 163955;NSC-163955;4-Thia-octan;butyl(propyl)sulfane;1-(Propylsulfanyl)butane;1-(Propylsulfanyl)butane #;SCHEMBL383816;DTXSID30304028;ZBRWJPVULTZZCE-UHFFFAOYSA-N;NSC163955;AKOS024429095;FT-0633707

Chemical Property of Butane, 1-(propylthio)-

Chemical Property:

• Vapor Pressure: 2.27mmHg at 25°C
• Melting Point: -66.8°C (estimate)
• Refractive Index: 1.45
• Boiling Point: 167.2 °C at 760 mmHg
• Flash Point: 52.8 °C
• PSA: 25.30000
• Density: 0.836 g/cm³
• LogP: 2.92970
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 132.09727168
• Heavy Atom Count: 8
• Complexity: 35.4

Purity/Quality:

99% ^*data from raw suppliers

BUTYL PROPYL SULFIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: R10:Flammable.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCCC

Technology Process of Butane, 1-(propylthio)-

There total 3 articles about Butane, 1-(propylthio)- 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:

Dimethyldisulphide (624-92-0) + propyl bromide (106-94-5) → 1-(methylthio)-propane (3877-15-4) + butyl propyl sulfide (1613-46-3)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In dimethyl sulfoxide; at 90 - 95 ℃; for 5h; Title compound not separated from byproducts;

DOI:10.1007/BF00863838

Reference yield:

n-butyl methyl sulfide (628-29-5) + propyl bromide (106-94-5) → 1-(methylthio)-propane (3877-15-4) + butyl propyl sulfide (1613-46-3)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In dimethyl sulfoxide; at 90 - 95 ℃; for 5h; Yield given. Title compound not separated from byproducts;

DOI:10.1007/BF00863838

Reference yield:

trimethylene sulphide (287-27-4) + n-butyllithium (109-72-8,29786-93-4) + diethyl ether (60-29-7,927820-24-4) → n-butanethiol (109-79-5) + butyl propyl sulfide (1613-46-3) + 1-butylsulfanyl-3-propylsulfanyl-propane (867129-71-3)

Guidance literature:

DOI:10.1021/ja01633a045

upstream raw materials:

trimethylene sulphide

n-butyllithium

diethyl ether

Dimethyldisulphide

Downstream raw materials:

butyl propyl sulfone

butyl propyl sulfoxide

n-butylthiocyanate

propyl bromide

Refernces