Butanethioamide

Base Information

• Chemical Name: Butanethioamide
• CAS No.: 16536-93-9
• Molecular Formula: C4H9NS
• Molecular Weight: 103.188
• European Community (EC) Number: 962-933-8
• DSSTox Substance ID: DTXSID80498941
• Wikidata: Q82349312
• Mol file: 16536-93-9.mol

Synonyms:butanethioamide;16536-93-9;THIOBUTYRAMIDE;SCHEMBL813510;SCHEMBL21482212;DTXSID80498941;WPLXTOVHRYJKSG-UHFFFAOYSA-N;AKOS000151700;EN300-53232

Chemical Property of Butanethioamide

Chemical Property:

• PSA: 62.65000
• LogP: 1.79330
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 103.04557046
• Heavy Atom Count: 6
• Complexity: 51.5

Purity/Quality:

butanethioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=S)N

Technology Process of Butanethioamide

There total 8 articles about Butanethioamide 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%

butanamide (541-35-5) → butanethioamide (16536-93-9)

Guidance literature:

With Lawessons reagent; sodium carbonate; In tetrahydrofuran; for 3h; Reflux;

Reference yield: 72.0%

propyl cyanide (109-74-0) → butanethioamide (16536-93-9)

Guidance literature:

With boron trifluoride diethyl etherate; tiolacetic acid; In 1,2-dichloro-ethane; Ambient temperature;

Reference yield: 48.0%

propyl cyanide (109-74-0) + tiolacetic acid (507-09-5) → butanethioamide (16536-93-9) + C6H11NOS + Thioacetic acid S-((Z)-1-amino-but-1-enyl) ester

Guidance literature:

With boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; Ambient temperature;

upstream raw materials:

propyl cyanide

butanamide

triphenylphosphine-thiocyanogen

1-propylmagnesium chloride

Downstream raw materials:

butanamide

propyl cyanide

dibenzyl sulfide

4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]pyridin-2-amine

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