![6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole structure](/static/products/4498/449813-31-4.webp)
6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole
TL;DR: 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole (CAS 449813-31-4) 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.
6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole, 6-Methyl-2-[(2-nitrophenyl)methylthio]benzimidazole, 1H-Benzimidazole, 5-methyl-2-[[(2-nitrophenyl)methyl]thio]-, 6-Methyl-2-{[(2-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzimidazole
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 449813-31-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | LEHHHWRXEXIKDQ-UHFFFAOYSA-N |
Product Overview
6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole (CAS 449813-31-4), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole
Property Insights of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole
The XLogP value of 4.0 indicates that 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-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 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-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 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole?
The CAS number of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole is 449813-31-4.
What is the molecular formula of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole?
The molecular formula of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole is C15H13N3O2S.
What is the molecular weight of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole?
The molecular weight of 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole is 299.07 g/mol.
Where can I buy 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole?
You can request a quote for 6-methyl-2-[(2-nitrophenyl)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-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.