1-Ethyl-1H-benzoimidazole-2-thiol

Base Information

• Chemical Name: 1-Ethyl-1H-benzoimidazole-2-thiol
• CAS No.: 39573-31-4
• Molecular Formula: C9H10 N2 S
• Molecular Weight: 178.258
• Hs Code.: 2933990090
• European Community (EC) Number: 801-637-4
• DSSTox Substance ID: DTXSID00353846
• Nikkaji Number: J3.250.262H
• Wikidata: Q82131659
• ChEMBL ID: CHEMBL1561902
• Mol file: 39573-31-4.mol

Synonyms:1-Ethyl-1H-benzoimidazole-2-thiol;39573-31-4;1-ethyl-1H-benzimidazole-2-thiol;3-ethyl-1H-benzimidazole-2-thione;1-ethyl-1H-benzo[d]imidazole-2-thiol;1-ethyl-1H-1,3-benzodiazole-2-thiol;1-ethyl-1,3-dihydro-2H-benzimidazole-2-thione;1-Ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione;2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI);SMR000117487;ChemDiv3_005013;MLS000527013;SCHEMBL2202012;CHEMBL1561902;SCHEMBL14542657;DTXSID00353846;HMS1487D19;HMS2186G09;MFCD02731404;STK499028;STL191164;AKOS000116251;AKOS025268122;IDI1_022923;LS-09916;BB 0219614;EU-0015770;FT-0676647;1-ethyl-1,3-dihydro-benzoimidazole-2-thione;EN300-03524;1-Ethyl-1H-benzoimidazole-2-thiol, AldrichCPR;A873625;1-ETHYL-1H-1,3-BENZIMIDAZOL-2-YLHYDROSULFIDE;BRD-K46675315-001-01-8;Z56896246;F1076-0015

Chemical Property of 1-Ethyl-1H-benzoimidazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.00307mmHg at 25°C
• Boiling Point: 283.9°Cat760mmHg
• PKA: 11.11±0.30(Predicted)
• Flash Point: 125.5°C
• PSA: 56.62000
• Density: 1.27g/cm³
• LogP: 2.34490
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

1-Ethyl-1H-benzoimidazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2NC1=S

Technology Process of 1-Ethyl-1H-benzoimidazole-2-thiol

There total 14 articles about 1-Ethyl-1H-benzoimidazole-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: 94.0%

1-ethyl-2-(ethylthio)-1H-benzo[d]imidazole (124530-66-1) → 1-ethyl-1H-benzo[d]imidazole-2(3H)-thione (39573-31-4)

Guidance literature:

With sodium naphthalenide; In tetrahydrofuran; Ambient temperature;

Reference yield: 93.0%

N-ethyl-benzene-1,2-diamine (23838-73-5) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 1-ethyl-1H-benzo[d]imidazole-2(3H)-thione (39573-31-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 22h; Inert atmosphere;

DOI:10.1016/j.ejmech.2011.07.014

Reference yield: 71.5%

2-chloro-1-ethyl-1H-benzo[d]imidazole (58533-15-6) → 1-ethyl-1H-benzo[d]imidazole-2-thiol (39573-31-4)

Guidance literature:

With thiourea; In ethanol; for 12h; Reflux;

upstream raw materials:

1-ethyl-2-(ethylthio)-1H-benzo[d]imidazole

1-Ethyl-2-tritylsulfanyl-1H-benzoimidazole

1-ethyl-1H-benzimidazole-2-sulfonic acid

2,3-dihydrobenzimidazol-2-thione

Downstream raw materials:

N-ethylbenzimidazolinone

1-ethyl-1H-benzimidazole-2-sulfonic acid

1-ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine

6-Ethyl-benzimidazo<1,2-b>chinazolin-12(6H)-on