![2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole structure](/static/products/112/112494-51-6.webp)
2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole
TL;DR: 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole (CAS 112494-51-6) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(pyridin-2-ylsulfanylmethyl)-1H-benzimidazole
Also Known As: S-benzimidazolylmethylthiopyridine, 2-(benzimidazol-2-ylmethylthio)pyridine, 2-(pyridin-2-ylsulfanylmethyl)-1H-benzimidazole, 2-((pyridin-2-ylthio)methyl)-1H-benzo[d]imidazole, 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole
Technical Specifications
| Molecular Formula | C13H11N3S |
| Molecular Weight | 241.06737 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06737 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=CC=CC=N3 |
| InChIKey | APUTYNOGQQOAJV-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole
Property Insights of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole?
The CAS number of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole is 112494-51-6.
What is the molecular formula of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole?
The molecular formula of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole is C13H11N3S.
What is the molecular weight of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole?
The molecular weight of 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole is 241.06737 g/mol.
Where can I buy 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole?
You can request a quote for 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.