1h-Benzimidazole-2-ethanethiol

Base Information

• Chemical Name: 1h-Benzimidazole-2-ethanethiol
• CAS No.: 2242-96-8
• Molecular Formula: C₉H₁₀N₂S
• Molecular Weight: 178.258
• Hs Code.: 2933990090
• NSC Number: 62412
• DSSTox Substance ID: DTXSID10289622
• Nikkaji Number: J669.276A
• Wikidata: Q82027006
• Mol file: 2242-96-8.mol

Synonyms:2242-96-8;2-(1H-benzimidazol-2-yl)ethanethiol;1h-benzimidazole-2-ethanethiol;1H-Benzimidazole-2-ethanethiol(9CI);2-(1H-1,3-benzodiazol-2-yl)ethane-1-thiol;2-Benzimidazoleethanethiol;2-(1H-Benzo[d]imidazol-2-yl)ethanethiol;NSC62412;NCIOpen2_000163;SCHEMBL135294;F3099-6687;DTXSID10289622;MFCD06009723;NSC-62412;AKOS002257525;VU0509235-1;EN300-237917

Chemical Property of 1h-Benzimidazole-2-ethanethiol

Chemical Property:

• Vapor Pressure: 2.21E-06mmHg at 25°C
• Boiling Point: 404.4°Cat760mmHg
• Flash Point: 198.4°C
• PSA: 67.48000
• Density: 1.255g/cm³
• LogP: 2.03520
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2-(1H-benzimidazol-2-yl)ethanethiol ^*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)CCS

Technology Process of 1h-Benzimidazole-2-ethanethiol

There total 3 articles about 1h-Benzimidazole-2-ethanethiol 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%

1,2-diamino-benzene (95-54-5) + 3-mercaptopropionic acid (107-96-0) → 3-(Benzimidazol-2-yl)propane-1-thiol (2242-96-8)

Guidance literature:

With hydrogenchloride; In water; for 48h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201611973

Reference yield:

o-phenylenediamine hydrochloride (39145-59-0) + 3-mercaptopropionic acid (107-96-0) → 3-(Benzimidazol-2-yl)propane-1-thiol (2242-96-8)

Guidance literature:

o-phenylenediamine hydrochloride; 3-mercaptopropionic acid; In water; Heating;

With ammonium hydroxide;

DOI:10.3987/COM-99-8784

Reference yield:

→ 3-(Benzimidazol-2-yl)propane-1-thiol (2242-96-8)

Guidance literature:

2-Mercapto-propionsaeure, o-Phenylendiamin analog Piper, Johnson (J.Org.Chem.30<1965>1247) (unter Luftabschluss, um Bldg.von Bis-(2--aethyl)-disulfid zu vermeiden);

upstream raw materials:

1,2-diamino-benzene

3-mercaptopropionic acid

o-phenylenediamine hydrochloride

Downstream raw materials:

3,4-dihydro-1H-[1,3]thiazino[3,4-a]benzimidazole