1-Benzyl-2-(methylthio)-1H-benzimidazole
TL;DR: 1-Benzyl-2-(methylthio)-1H-benzimidazole (CAS 94906-59-9) is a chemical compound with molecular formula C15H14N2S and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-methylsulfanylbenzimidazole
Also Known As: 1-Benzyl-2-(methylthio)-1H-benzimidazole, 1-benzyl-2-methylsulfanylbenzimidazole, 2-methylthio-1-benzylbenzimidazole, 1-benzyl-2-(methylsulfanyl)-1H-benzimidazole, J1.649.592A
| Molecular Formula | C15H14N2S |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.8065 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08777 |
| Heavy Atoms | 18 |
| Complexity | 658.5701 |
Chemical Identifiers
| CAS Number | 94906-59-9 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 |
Product Overview
1-Benzyl-2-(methylthio)-1H-benzimidazole (CAS 94906-59-9), with molecular formula C15H14N2S and molecular weight 254.09 g/mol. IUPAC: 1-benzyl-2-methylsulfanylbenzimidazole.
Chemical Property Profile of 1-Benzyl-2-(methylthio)-1H-benzimidazole
Property Insights of 1-Benzyl-2-(methylthio)-1H-benzimidazole
The XLogP value of 3.8065 indicates that 1-Benzyl-2-(methylthio)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 1-Benzyl-2-(methylthio)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-(methylthio)-1H-benzimidazole has 0 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 1-Benzyl-2-(methylthio)-1H-benzimidazole?
The CAS number of 1-Benzyl-2-(methylthio)-1H-benzimidazole is 94906-59-9.
What is the molecular formula of 1-Benzyl-2-(methylthio)-1H-benzimidazole?
The molecular formula of 1-Benzyl-2-(methylthio)-1H-benzimidazole is C15H14N2S.
What is the molecular weight of 1-Benzyl-2-(methylthio)-1H-benzimidazole?
The molecular weight of 1-Benzyl-2-(methylthio)-1H-benzimidazole is 254.09 g/mol.
Where can I buy 1-Benzyl-2-(methylthio)-1H-benzimidazole?
You can request a quote for 1-Benzyl-2-(methylthio)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-(methylthio)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-(methylthio)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.