2-(1H-benzimidazol-2-ylthio)aniline hydrochloride

Base Information

• Chemical Name: 2-(1H-benzimidazol-2-ylthio)aniline hydrochloride
• CAS No.: 69104-73-0
• Molecular Formula: C13H11 N3 S
• Molecular Weight: 0
• Hs Code.: 2933990090
• European Community (EC) Number: 961-610-9
• ChEMBL ID: CHEMBL1341945
• DSSTox Substance ID: DTXSID70583279
• Mol file: 69104-73-0.mol

Synonyms:2-(1H-benzimidazol-2-ylthio)aniline hydrochloride;69104-73-0;2-(1H-benzimidazol-2-ylsulfanyl)aniline;hydrochloride;1052528-75-2;2-((1H-Benzo[d]imidazol-2-yl)thio)aniline hydrochloride;2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline hydrochloride;MLS000770492;SMR000343719;CHEMBL1341945;DTXSID70583279;AKOS008029945;EN300-06509;SR-01000047682;SR-01000047682-1;2-((1H-Benzo[d]imidazol-2-yl)thio)anilinehydrochloride;2-[(1H-Benzimidazol-2-yl)sulfanyl]aniline--hydrogen chloride (1/1)

Chemical Property of 2-(1H-benzimidazol-2-ylthio)aniline hydrochloride

Chemical Property:

• Vapor Pressure: 1.3E-09mmHg at 25°C
• Boiling Point: 486.4°C at 760 mmHg
• Flash Point: 248°C
• PSA: 80.00000
• Density: 1.38g/cm³
• LogP: 4.67950
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.0440463
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

2-(1H-BENZIMIDAZOL-2-YLTHIO)ANILINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)SC2=NC3=CC=CC=C3N2.Cl

Technology Process of 2-(1H-benzimidazol-2-ylthio)aniline hydrochloride

There total 6 articles about 2-(1H-benzimidazol-2-ylthio)aniline hydrochloride 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: 95.1%

1-H-1,3-benzimidazol-2-yl methyl sulfoxide (98639-91-9,60525-14-6) + 2-amino-benzenethiol (137-07-5) → 2-<(2-aminophenyl)thio>-1H-benzimidazole (69104-73-0)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1016/0223-5234(91)90024-H

Reference yield: 52.0%

2-chloro-1H-benzoimidazole (4857-06-1) + 2-amino-benzenethiol (137-07-5) → 2-<(2-aminophenyl)thio>-1H-benzimidazole (69104-73-0)

Guidance literature:

With triethylamine; In chloroform; N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1016/0223-5234(91)90024-H

Reference yield:

2-((2-nitrophenyl)thio)-1H-benzo[d]imidazole (10067-99-9) → 2-<(2-aminophenyl)thio>-1H-benzimidazole (69104-73-0)

Guidance literature:

With iron; ammonium chloride; In tetrahydrofuran; water;

upstream raw materials:

2-chloro-1H-benzoimidazole

2-amino-benzenethiol

1-H-1,3-benzimidazol-2-yl methyl sulfoxide

2-((2-nitrophenyl)thio)-1H-benzo[d]imidazole

Downstream raw materials:

2-[2-(2-Pyridyl)-phenyl thio]-1H-benzimidazole

(S)-2-Amino-N-[2-(1H-benzoimidazol-2-ylsulfanyl)-phenyl]-3-phenyl-propionamide

2-<(2-(L-phenylalanylamino)phenyl)sulfinyl>-1H-benzimidazole

(S)-2-Amino-4-methyl-pentanoic acid [2-(1H-benzoimidazole-2-sulfinyl)-phenyl]-amide

Refernces

• 1、 Hirai, K,Koike, H,Ishiba, T,Ueda, S,Makino, I,et al.. "Amino acid amides of 2-benzimidazole as acid-stable prodrugs of potential inhibitors of H+/K+ ATPase". . p. 143 - 158. Retrieved 2007/10/02.