39573-31-4

Basic information

• Product Name: 2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI)
• Synonyms: 2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI);1-ethyl-1H-benzimidazole-2-thiol(SALTDATA: FREE);1-ethyl-1H-benzo[d]imidazole-2-thiol;3-ethyl-1H-benzimidazole-2-thione
• CAS NO: 39573-31-4
• Molecular Formula: C₉H₁₀N₂S
• Molecular Weight: 178.258
• Product Categories: BENZIMIDAZOLE
• Mol File: 39573-31-4.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 283.9°Cat760mmHg
• Flash Point: 125.5°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 0.00307mmHg at 25°C
• Refractive Index: 1.686
• PKA: 11.11±0.30(Predicted)
• CAS DataBase Reference: 2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI)(39573-31-4)
• EPA Substance Registry System: 2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI)(39573-31-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 39573-31-4(Hazardous Substances Data)

Usage

Description

2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI) is a chemical compound with the molecular formula C9H10N2S. It is a derivative of benzimidazole and is also known as 1-ethyl-1,3-dihydro-2H-benzimidazole-2-thione. This sulfur-containing heterocyclic compound has potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. It may possess biological activity and is of interest for its potential use in the treatment of various diseases. Its chemical reactivity and potential uses in organic synthesis make it a promising candidate for further research and study in various fields, including medicine and chemical synthesis.

Uses

Used in Pharmaceutical Industry:
2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI) is used as a pharmaceutical intermediate for the development of new drugs. Its unique structure and potential biological activity make it a valuable compound for the creation of novel therapeutic agents.
Used in Medicinal Chemistry Research:
2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI) is used as a research tool in medicinal chemistry to study its potential interactions with biological targets and to explore its therapeutic potential in treating various diseases.
Used in Organic Synthesis:
2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI) is used as a building block in organic synthesis, enabling the creation of new chemical entities with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C9H10N2S/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)

Upstream product

• 124530-66-1 1-ethyl-2-(ethylthio)-1H-benzo[d]imidazole 
• 137268-22-5 1-Ethyl-2-tritylsulfanyl-1H-benzoimidazole 
• 90331-19-4 1-ethyl-1H-benzimidazole-2-sulfonic acid 
• 583-39-1 2,3-dihydrobenzimidazol-2-thione 
• 137213-71-9 (triphenylmethyl)sulfanylbenzimidazole 
• 23838-73-5 N-ethyl-benzene-1,2-diamine 
• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 7035-68-9 1-Ethylbenzimidazole 
• 4857-06-1 2-chloro-1H-benzoimidazole 
• 58533-15-6 2-chloro-1-ethyl-1H-benzo[d]imidazole 
• 17356-08-0 thiourea 
• 59720-40-0 N-ethyl-o-phenylenediamine; hydrochloride 

Downstream Products

• 10045-45-1 N-ethylbenzimidazolinone 
• 90331-19-4 1-ethyl-1H-benzimidazole-2-sulfonic acid 
• 116121-25-6 1-ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine 
• 32700-97-3 6-Ethyl-benzimidazo<1,2-b>chinazolin-12(6H)-on 
• 7035-68-9 1-Ethylbenzimidazole 

Relevant articles and documents

HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF AMYLOID-RELATED DISEASES

A compound of Formula (I) or a pharmaceutically acceptable salt thereof is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.

Highly efficient tandem syntheses of unsymmetrically substituted isomeric S,N-disubstituted-2-mercaptobenzimidazoles

Highly efficient tandem syntheses of unsymmetrically substituted isomeric S,N-disubstituted-2-mercaptobenzimidazoles have been developed. The structures of 6a-d and isomeric compounds 9a-d have been synthesized from 2-mercaptobenzimidazole using tandem synthesis. The structures of 6a-d and isomeric compounds 9a-d have been established by spectral and analytical data, and by unambiguous syntheses.

Design of benzimidazole- and benzoxazole-2-thione derivatives as inhibitors of bacterial hyaluronan lyase

Bacterial hyaluronan lyases (Hyal) degrade hyaluronan, an important component of the extracellular matrix, and are involved in microbial spread. Hyal inhibitors may serve as tools to study the role of the enzyme, its substrates and products in the course of bacterial infections. Moreover, such enzyme inhibitors are potential candidates for antibacterial combination therapy. Based on crystal structures of Streptococcus pneumoniae Hyal in complex with a hexasaccharide substrate and with different inhibitors, 1-acylated benzimidazole-2-thiones and benzoxazole-2-thiones were derived as new leads for the inhibition of Streptococcus agalactiae strain 4755 Hyal. Structure-based optimization led to N-(3-phenylpropionyl)benzoxazole-2-thione, one of the most potent compounds known to date (IC50 values: 24 μM at pH 7.4, 15 μM at pH 5). Among the 27 new derivatives, other N-acylated benzimidazoles and benzoxazoles are just as active at pH 7.4, but not at pH 5. The results support a binding mode characterized by interactions with residues in the catalytic site and with a hydrophobic patch.