1-benzyl-1H-benzimidazole-2-thiol

Base Information

• Chemical Name: 1-benzyl-1H-benzimidazole-2-thiol
• CAS No.: 31493-51-3
• Molecular Formula: C14H12N2S
• Molecular Weight: 240.329
• DSSTox Substance ID: DTXSID20354133
• Nikkaji Number: J273.649G
• Wikidata: Q82132114
• ChEMBL ID: CHEMBL355612
• Mol file: 31493-51-3.mol

Synonyms:1-benzyl-1H-benzimidazole-2-thiol;31493-51-3;3-benzyl-1H-benzimidazole-2-thione;1-Benzyl-1H-benzoimidazole-2-thiol;1-benzyl-1H-benzo[d]imidazole-2-thiol;1-benzyl-1H-1,3-benzodiazole-2-thiol;MLS001207489;CHEMBL355612;SMR000514285;ChemDiv3_001113;Oprea1_690517;CBDivE_008006;cid_764299;SCHEMBL5199559;SCHEMBL10492810;BDBM80308;DTXSID20354133;NPCKYDJGUXAGPP-UHFFFAOYSA-N;HMS1476C13;HMS2816B09;BBL018881;CCG-15973;MFCD00445901;STK231344;STK787420;AKOS000275436;AKOS001175208;1H-Benzoimidazole-2-thiol, 1-benzyl-;IDI1_020079;NCGC00172977-01;VS-06814;3-(phenylmethyl)-1H-benzimidazole-2-thione;BB 0241027;1-Benzyl-1,3-dihydro-benzoimidazole-2-thione;EN300-235845;1-benzyl-1,3-dihydro-2H-benzimidazole-2-thione;AG-690/36539019;SR-01000417987;1-benzyl-2,3-dihydro-1h-benz[d]imidazole-2-thione;SR-01000417987-1;BRD-K68719413-001-01-8;Z57115029;F0783-0003

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

Chemical Property:

• PSA: 56.62000
• LogP: 3.37330
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 240.07211956
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3NC2=S

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

There total 15 articles about 1-benzyl-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: 96.0%

1-benzyl-2-chlorobenzimidazole (43181-78-8) → N-benzyl-2-mercaptobenzimidazole (31493-51-3)

Guidance literature:

With sodium sulfide; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1021/acs.orglett.1c01794

Reference yield: 93.0%

1-benzyl-2-(benzylthio)-1H-benzo-[d]-imidazole (87216-52-2) → 1-benzyl-1,3-dihydro-2H-benzo-[d]-imidazole-2-thione (31493-51-3)

Guidance literature:

With sodium naphthalenide; In tetrahydrofuran; Ambient temperature;

Reference yield: 50.0%

N-benzyl-1,2-phenylenediamine (5822-13-9) + dimethyl sulfoxide (67-68-5,8070-53-9) → 1-benzyl-1,3-dihydro-2H-benzo-[d]-imidazole-2-thione (31493-51-3)

Guidance literature:

With potassium sulfide; at 140 ℃; for 12h; Sealed tube; Schlenk technique; Inert atmosphere;

DOI:10.1039/c8gc00477c

upstream raw materials:

carbon disulfide

N-benzyl-2-nitroaniline

1-benzylbenzimidazole

1-Benzylbenzimidazole-2-sulfonic Acid

Downstream raw materials:

1,3-dihydro-1-(phenylmethyl)-2H-benzimidazol-2-one

Methanesulfonic acid 2-(1-benzyl-1H-benzoimidazol-2-ylsulfanyl)-ethyl ester

1-Benzylbenzimidazole-2-sulfonic Acid

1-Benzyl-2-[(R)-1-(tetrahydro-furan-3-yl)methylsulfanyl]-1H-benzoimidazole