1H-Benzimidazol-2-ylmethanethiol

Base Information

• Chemical Name: 1H-Benzimidazol-2-ylmethanethiol
• CAS No.: 4344-85-8
• Molecular Formula: C8H8 N2 S
• Molecular Weight: 164.231
• Hs Code.: 2933990090
• NSC Number: 46326
• DSSTox Substance ID: DTXSID10195855
• Nikkaji Number: J833.304A
• Wikidata: Q27453384
• ChEMBL ID: CHEMBL2358377
• Mol file: 4344-85-8.mol

Synonyms:benzimidazol-2-ylmethanethiol;BZMT

Chemical Property of 1H-Benzimidazol-2-ylmethanethiol

Chemical Property:

• Vapor Pressure: 7.17E-06mmHg at 25°C
• Boiling Point: 387.8°Cat760mmHg
• Flash Point: 188.3°C
• PSA: 67.48000
• Density: 1.309g/cm³
• LogP: 1.99270
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99.3% ^*data from raw suppliers

1H-benzimidazol-2-ylmethanethiolhydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CS

Technology Process of 1H-Benzimidazol-2-ylmethanethiol

There total 3 articles about 1H-Benzimidazol-2-ylmethanethiol 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: 87.0%

mercaptoacetic acid (68-11-1) + 1,2-diamino-benzene (95-54-5) → (1H-benzimidazol-2-yl)methanethiol (4344-85-8)

Guidance literature:

With hydrogenchloride; In water monomer; at 100 ℃; for 12h;

Reference yield:

o-phenylenediamine hydrochloride (39145-59-0) + mercaptoacetic acid (68-11-1) → (1H-benzimidazol-2-yl)methanethiol (4344-85-8)

Guidance literature:

o-phenylenediamine hydrochloride; mercaptoacetic acid; In water; Heating;

With ammonium hydroxide;

DOI:10.3987/COM-99-8784

Reference yield:

→ (1H-benzimidazol-2-yl)methanethiol (4344-85-8)

Guidance literature:

o-Phenylendiamin, Thioglykolsaeure in 4n HCl <13.5 h Kochen>;

DOI:10.1021/jo01077a018

upstream raw materials:

mercaptoacetic acid

1,2-diamino-benzene

o-phenylenediamine hydrochloride

Downstream raw materials:

2-(hydrazinylmethyl)-1H-benzo[d]imidazole

2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole

C₂₆H₃₅N₃OS

Refernces

• 1、 Hazem, Reem M.,Mohamed, Anhar A.,Ghareb, Nagat,Mehanna, Eman T.,Mesbah, Noha M.,Abo-Elmatty, Dina M.,Elgawish, Mohamed Saleh. "Anti-cancer activity of two novel heterocyclic compounds through modulation of VEGFR and miR-122 in mice bearing Ehrlich ascites carcinoma". . . Retrieved 2020/12/02.
• 2、 Singh, Ashok K.,Katheria, Snehlata,Kumar, Amrendra,Zafri, Asiff,Arshad, Mohd. "Design, synthesis, characterization and antiproliferative activities of Ru(II) complexes of substituted benzimidazoles". . p. 2311 - 2318. Retrieved 2019/09/04.