Sodium 1-butanethiolate

Base Information

• Chemical Name: Sodium 1-butanethiolate
• CAS No.: 4779-86-6
• Molecular Formula: C4H10 S . Na
• Molecular Weight: 112.171
• European Community (EC) Number: 628-458-2
• DSSTox Substance ID: DTXSID70197274
• Nikkaji Number: J1.438.226G
• Mol file: 4779-86-6.mol

Synonyms:Sodium 1-butanethiolate;4779-86-6;1-Butanethiol, sodium salt;sodium;butane-1-thiolate;sodium butane-1-thiolate;1-Butanethiol sodium salt;sodium thiobutoxide;sodium butanethiolate;1-Butanethiolsodium salt;C4H10S.Na;(BUTYLSULFANYL)SODIUM;C4-H10-S.Na;SCHEMBL1148854;DTXSID70197274;VTLWRSNWWLIJTQ-UHFFFAOYSA-M;1-Butanethiol, sodium salt (1:1);AKOS025295357;FT-0727599;Sodium 1-butanethiolate, technical, >=95.0% (RT)

Chemical Property of Sodium 1-butanethiolate

Chemical Property:

• Melting Point: -115.9oC
• Boiling Point: 98.2°Cat760mmHg
• Flash Point: 12.8°C
• PSA: 25.30000
• Density: 0.83g/cm³
• LogP: 1.98400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 112.03226574
• Heavy Atom Count: 6
• Complexity: 17

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sodium 1-butanethiolate technical, ≥95.0% (RT) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[S-].[Na+]

Technology Process of Sodium 1-butanethiolate

There total 5 articles about Sodium 1-butanethiolate 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: 80.0%

dibutyl disulfide (629-45-8) → sodium 1-buthanethiolate (4779-86-6)

Guidance literature:

With sodium; In tetrahydrofuran; at 20 ℃; for 72h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201409165

Reference yield:

n-butanethiol (109-79-5) → sodium 1-buthanethiolate (4779-86-6)

Guidance literature:

With sodium; In tetrahydrofuran; for 1h; Inert atmosphere;

DOI:10.1007/s10973-009-0657-4

Reference yield:

butanethiol thiouronium hydrobromide (4269-98-1) → sodium 1-buthanethiolate (4779-86-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 1.5h; Heating;

upstream raw materials:

butanethiol thiouronium hydrobromide

diethyl ether

dibutyl disulfide

ethanol

Downstream raw materials:

dibutyl disulfide

tris(butylsulfanyl)methane

(Sbu)Si(St-bu)3

2-(butylthio)acetic acid

Refernces

• 1、 -. "Composite herbicide based on spermine ammonium phosphate and sulfadiazole". Paragraph 0054-0055; 0063-0064; 0073-0074; 0083. . Retrieved 2021/08/25.
• 2、 Ogawa, Kelli A.,Boydston, Andrew J.. "Organocatalyzed anodic oxidation of aldehydes to thioesters". supporting information. p. 1928 - 1931. Retrieved 2014/05/06.