2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole
TL;DR: 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole (CAS 62049-85-8) is a chemical compound with molecular formula C13H8ClN3O2S and molecular weight 305.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole
Also Known As: BAS 00434806, BIM-0020155.P001, 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole, 2-benzimidazol-2-ylthio-4-chloro-1-nitrobenzene, 2-(5-Chloro-2-nitro-phenylsulfanyl)-1H-benzoimidazole
| Molecular Formula | C13H8ClN3O2S |
|---|---|
| Molecular Weight | 305.00 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.00256 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 62049-85-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
| InChIKey | YQLXKPNEVRSMCI-UHFFFAOYSA-N |
Product Overview
2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole (CAS 62049-85-8), with molecular formula C13H8ClN3O2S and molecular weight 305.00 g/mol. IUPAC: 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole
Property Insights of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole
The XLogP value of 4.3 indicates that 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 4 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 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole?
The CAS number of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole is 62049-85-8.
What is the molecular formula of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole?
The molecular formula of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole is C13H8ClN3O2S.
What is the molecular weight of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole?
The molecular weight of 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole is 305.00 g/mol.
Where can I buy 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole?
You can request a quote for 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-2-nitrophenyl)sulfanyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.