2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol

Base Information

• Chemical Name: 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
• CAS No.: 53440-31-6
• Molecular Formula: C9H10 N2 S
• Molecular Weight: 178.258
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40420607
• Wikidata: Q82231908
• Mol file: 53440-31-6.mol

Synonyms:2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol;53440-31-6;2-(4,5-dihydro-1H-imidazol-2-yl)benzene-1-thiol;2-(4,5-Dihydro-1H-imidazol-2-yl)-benzenethiol;SCHEMBL4066263;DTXSID40420607;MFCD01815126;AKOS005070459;CS-0331848;FT-0680381;4P-049;2-(4,5-dihydro-1H-imidazol-2-yl) benzenethiol;A923413;J-505880;6-(imidazolidin-2-ylidene)cyclohexa-2,4-diene-1-thione

Chemical Property of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol

Chemical Property:

• Vapor Pressure: 8.59E-05mmHg at 25°C
• Melting Point: 210°
• Boiling Point: 340.5°Cat760mmHg
• Flash Point: 159.7°C
• PSA: 63.19000
• Density: 1.26g/cm³
• LogP: 1.08950
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

2-(4,5-dihydro-1H-imidazol-2-yl)benzene-1-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC=CC=C2S

Technology Process of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol

There total 4 articles about 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol 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: 74.0%

Thiosalicylic acid (147-93-3) + ethylenediamine (107-15-3,85404-18-8) → 2-(4,5-dihydro-1H-imidazol-2-yl)-benzenethiol (53440-31-6)

Guidance literature:

Thiosalicylic acid; ethylenediamine; In 1,2-dichloro-benzene; for 4h; Reflux; Inert atmosphere;

In methanol; 1,2-dichloro-benzene; at 20 - 60 ℃;

DOI:10.1021/acs.joc.8b01210

Reference yield:

ethylenediamine (107-15-3,85404-18-8) → 2-(4,5-dihydro-1H-imidazol-2-yl)-benzenethiol (53440-31-6)

Guidance literature:

With ethanol;

Reference yield:

3H-1,2-benzodithiole-3-thione (3354-42-5) + ethanol (64-17-5) + ethylenediamine (107-15-3,85404-18-8) → 2-(4,5-dihydro-1H-imidazol-2-yl)-benzenethiol (53440-31-6)

Guidance literature:

upstream raw materials:

ethylenediamine

3H-1,2-benzodithiole-3-thione

ethanol

Thiosalicylic acid

Downstream raw materials:

2-(2-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}phenyl)-4,5-dihydro-1H-imidazole