2-butylsulfanyl-1H-benzimidazole

Base Information

• Chemical Name: 2-butylsulfanyl-1H-benzimidazole
• CAS No.: 75080-11-4
• Molecular Formula: C11H14N2S
• Molecular Weight: 206.3073
• NSC Number: 191914
• DSSTox Substance ID: DTXSID60307522
• Nikkaji Number: J1.090.485D
• Wikidata: Q82054938
• ChEMBL ID: CHEMBL1448111
• Mol file: 75080-11-4.mol

Synonyms:2-butylsulfanyl-1H-benzimidazole;75080-11-4;2-(Butylthio)-1H-benzimidazole;2-Butylsulfanyl-1H-benzoimidazole;2-(butylthio)-1H-benzo[d]imidazole;2-butylthiobenzimidazole;2-(butylsulfanyl)-1H-1,3-benzodiazole;NSC191914;MLS000693034;SCHEMBL425175;CHEMBL1448111;DTXSID60307522;HMS1609K18;HMS2652J11;1H-Benzimidazole, 2-(butylthio)-;2-(butylsulfanyl)-1H-benzimidazole;STK387430;AKOS000275655;NSC-191914;SMR000285883;BB 0219622;SR-01000417984;SR-01000417984-1;Z57115037;F0783-0011

Chemical Property of 2-butylsulfanyl-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 9.41E-06mmHg at 25°C
• Boiling Point: 372.7°C at 760 mmHg
• Flash Point: 179.2°C
• PSA: 53.98000
• Density: 1.16g/cm³
• LogP: 3.45510
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.08776963
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC1=NC2=CC=CC=C2N1

Technology Process of 2-butylsulfanyl-1H-benzimidazole

There total 2 articles about 2-butylsulfanyl-1H-benzimidazole 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: 88.0%

n-butanethiol (109-79-5) + 2-(4-Phenoxy-butane-1-sulfinyl)-1H-benzoimidazole (110143-84-5) → 2-(butylthio)-1H-benzo[d]imidazole (75080-11-4) + (4-Butyldisulfanyl-butoxy)-benzene (110143-89-0)

Guidance literature:

In ethanol; at 75 ℃; for 15h;

DOI:10.1021/jo00229a039

Reference yield: 78.0%

n-butanethiol (109-79-5) + 2-Benzenesulfinyl-1H-benzoimidazole (110143-85-6) → 2-(butylthio)-1H-benzo[d]imidazole (75080-11-4) + butyl phenyl disulfide (20129-23-1)

Guidance literature:

In ethanol; at 75 ℃; for 15h;

DOI:10.1021/jo00229a039

Reference yield: 88.0%

(4-benzyloxy-phenyl)-cyclopropyl-methanol + 2-(butylthio)-1H-benzo[d]imidazole (75080-11-4) → 1-[4-{4-(benzyloxy)phenyl}but-3-enyl]-2-(butylthio)-1H-benzo[d]imidazole

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 120 ℃;

DOI:10.1021/ml4002248

upstream raw materials:

n-butanethiol

2-Benzenesulfinyl-1H-benzoimidazole

2-(4-Phenoxy-butane-1-sulfinyl)-1H-benzoimidazole

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