1-propyl-1H-benzimidazole-2-thiol

Base Information

• Chemical Name: 1-propyl-1H-benzimidazole-2-thiol
• CAS No.: 67624-25-3
• Molecular Formula: C10H12N2S
• Molecular Weight: 192.28100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40353845
• Nikkaji Number: J3.487.169H
• Wikidata: Q82131658
• Mol file: 67624-25-3.mol

Synonyms:1-propyl-1H-benzimidazole-2-thiol;67624-25-3;1-Propyl-1H-benzoimidazole-2-thiol;3-propyl-1H-benzimidazole-2-thione;1-propyl-1H-benzo[d]imidazole-2-thiol;1-propyl-1H-1,3-benzodiazole-2-thiol;1-propyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione;MFCD01008568;1-propyl-1,3-dihydro-2H-benzimidazole-2-thione;1-propyl-1,3-benzodiazole-2-thiol;SCHEMBL3140332;DTXSID40353845;HMS1616E07;HMS1760F16;BBL036070;STK499029;STK787104;AKOS000117995;AKOS001025881;VS-13322;1-Propyl-1,3-dihydrobenzoimidazole-2-thione;BB 0219613;EU-0010264;EN300-03538;AB00088975-01;AS-871/09593042;SR-01000481399;SR-01000481399-1;Z56821176;F0486-2338;F0807-0465

Chemical Property of 1-propyl-1H-benzimidazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.00122mmHg at 25°C
• Boiling Point: 299.1oC at 760 mmHg
• Flash Point: 134.7oC
• PSA: 56.62000
• Density: 1.23g/cm3
• LogP: 2.73500
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.07211956
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98%Min ^*data from raw suppliers

1-Propyl-1H-benzimidazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C2=CC=CC=C2NC1=S

Technology Process of 1-propyl-1H-benzimidazole-2-thiol

There total 6 articles about 1-propyl-1H-benzimidazole-2-thiol 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: 93.0%

1-Propyl-2-propylsulfanyl-1H-benzoimidazole (124530-67-2) → 1-Propylbenzimidazoline-2-thione (67624-25-3)

Guidance literature:

With sodium naphthalenide; In tetrahydrofuran; Ambient temperature;

Reference yield: 67.0%

2,3,4-Trihydro-1,3-thiazino<3,2-a>benzimidazole (34117-49-2) → 1-Propylbenzimidazoline-2-thione (67624-25-3)

Guidance literature:

With sodium naphthalenide; toluene; In tetrahydrofuran; for 2.5h; Ambient temperature; THF (without Toluene), or THF + Cumene;

Reference yield:

2,3-dihydrobenzimidazol-2-thione (583-39-1,2080-59-3) → 1-Propylbenzimidazoline-2-thione (67624-25-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / Et₃N / tetrahydrofuran / 8 h / Ambient temperature

2: KOH / acetone / 0.17 h

3: acetic acid / methanol / 0.5 h / Heating

With potassium hydroxide; acetic acid; triethylamine; In tetrahydrofuran; methanol; acetone;

DOI:10.1080/00397919108021578

upstream raw materials:

1-Propyl-2-propylsulfanyl-1H-benzoimidazole

1-Propyl-2-tritylsulfanyl-1H-benzoimidazole

2,3,4-Trihydro-1,3-thiazino<3,2-a>benzimidazole

2,3-dihydrobenzimidazol-2-thione

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