Octanethioamide

Base Information

• Chemical Name: Octanethioamide
• CAS No.: 5813-91-2
• Molecular Formula: C8H17NS
• Molecular Weight: 159.296
• DSSTox Substance ID: DTXSID30514827
• Nikkaji Number: J1.794.911J
• Wikidata: Q82375371
• Mol file: 5813-91-2.mol

Synonyms:Octanethioamide;thiooctanamide;5813-91-2;SCHEMBL3033182;DTXSID30514827

Chemical Property of Octanethioamide

Chemical Property:

• PSA: 62.65000
• LogP: 3.35370
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 159.10817072
• Heavy Atom Count: 10
• Complexity: 91.3

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=S)N

Technology Process of Octanethioamide

There total 3 articles about Octanethioamide 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: 25.0%

caprylnitrile (124-12-9) → cctanethioamide (5813-91-2)

Guidance literature:

With Dowex 1X₈ SH^(1-); hydrogen sulfide; In methanol; at 20 ℃; for 3h;

DOI:10.1055/s-2002-33649

Reference yield:

n-Octylamine (111-86-4) → cctanethioamide (5813-91-2) + N'-octyloctanamidine (93625-15-1) + N'-octyl-2-thioketooctanamidine + n-octanamide (629-01-6)

Guidance literature:

With sulfur; at 130 ℃; for 2h; Sonication; Inert atmosphere;

DOI:10.1021/ja1109997

Reference yield:

→ cctanethioamide (5813-91-2)

Guidance literature:

DOI:10.1016/0022-2860(72)80007-3

upstream raw materials:

caprylnitrile

n-Octylamine

Downstream raw materials:

caprylnitrile

dibenzyl sulfide

Refernces

• 1、 Liboska, Radek,Zyka, Daniel,Bobek, Miroslav. "Synthesis of primary thioamides from nitriles and hydrogen sulfide catalyzed by anion-exchange resin". . p. 1649 - 1651. Retrieved 2007/10/03.