![2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole structure](/static/products/845/845879-34-7.png)
2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole
TL;DR: 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole (CAS 845879-34-7) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole, 2-((2-Methyl-5-nitrobenzyl)thio)-1H-benzo[d]imidazole, AI-067/31572062, 2-({5-nitro-2-methylbenzyl}sulfanyl)-1H-benzimidazole, 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 4.07182 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 780.5389 |
Chemical Identifiers
| CAS Number | 845879-34-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3N2 |
Product Overview
2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole (CAS 845879-34-7), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole
Property Insights of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole
The XLogP value of 4.07182 indicates that 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole 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-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole?
The CAS number of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole is 845879-34-7.
What is the molecular formula of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole?
The molecular formula of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole is C15H13N3O2S.
What is the molecular weight of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole?
The molecular weight of 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole is 299.07 g/mol.
Where can I buy 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole?
You can request a quote for 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-5-nitrobenzylthio)-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.