1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-

Base Information

• Chemical Name: 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-
• CAS No.: 153687-01-5
• Molecular Formula: C₁₁H₁₉NS
• Molecular Weight: 197.345
• DSSTox Substance ID: DTXSID60165402
• Nikkaji Number: J564.533F
• Wikidata: Q83034557
• Mol file: 153687-01-5.mol

Synonyms:2-Butyl-5-methyl N-ethanethiol pyrrole;1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-;153687-01-5;DTXSID60165402;LS-136952;2-Methyl-5-butyl-1H-pyrrole-1-(ethanethiol)

Chemical Property of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-

Chemical Property:

• Vapor Pressure: 0.00268mmHg at 25°C
• Boiling Point: 295.5°C at 760 mmHg
• Flash Point: 132.5°C
• Density: 0.99g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 197.12382078
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(N1CCS)C

Technology Process of 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl-

There total 1 articles about 1H-Pyrrole-1-ethanethiol, 2-butyl-5-methyl- 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: 67.0%

nonane-2,5-dione (25234-82-6) + 2-mercaptoethylamine hydrochloride (156-57-0) → 2-butyl-5-methyl N-ethanethiol pyrrole (153687-01-5) + C22H36N2S2

Guidance literature:

With pyridine; 1.) RT, overnight, 2.) 90-100 deg C, 2 h;

DOI:10.1016/0223-5234(93)90029-E

upstream raw materials:

nonane-2,5-dione

2-mercaptoethylamine hydrochloride