6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
TL;DR: 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole (CAS 7692-57-1) is a chemical compound with molecular formula C8H7ClN2S and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methylsulfanyl-1H-benzimidazole
Also Known As: 6-CHLORO-2-(METHYLTHIO)-1H-BENZO[D]IMIDAZOLE, 6-chloro-2-methylthiobenzimidazole, 5-Chloro-2-[methylthio]benzimidazole, 6-chloro-2-methylsulfanyl-1H-benzimidazole, 7-((trimethylsilyl)ethynyl)-1H-indazole
| Molecular Formula | C8H7ClN2S |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.00185 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 7692-57-1 |
|---|---|
| SMILES | CSC1=NC2=C(N1)C=C(C=C2)Cl |
| InChIKey | ZYJPSJQXODTXBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-(methylsulfanyl)-1H-benzimidazole (CAS 7692-57-1), with molecular formula C8H7ClN2S and molecular weight 198.00 g/mol. IUPAC: 6-chloro-2-methylsulfanyl-1H-benzimidazole.
Chemical Property Profile of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
Property Insights of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
The XLogP value of 3.2 indicates that 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole?
The CAS number of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole is 7692-57-1.
What is the molecular formula of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole?
The molecular formula of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole is C8H7ClN2S.
What is the molecular weight of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole?
The molecular weight of 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole is 198.00 g/mol.
Where can I buy 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole?
You can request a quote for 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-(methylsulfanyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.