2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid
TL;DR: 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid (CAS 28020-71-5) is a chemical compound with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid
Also Known As: 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid, 2-[thio]-1h-benzimidazole-5-sulphonicacid, 2-[ thio]-1H-benzimidazole-5-sulphonicacid, 1h-benzimidazole-5-sulfonic acid, 2-[(2-pyridinylmethyl)thio]-, 2-(2-Pyridinylmethyl)thio-1H-benzimidazole-5-sulfonic acid
| Molecular Formula | C13H11N3O3S2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.02417 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 28020-71-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O |
| InChIKey | WMVRGOPCKSLXKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid (CAS 28020-71-5), with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol. IUPAC: 2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid.
Chemical Property Profile of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid
Property Insights of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid. Following Lipinski's Rule of Five, 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid has 2 hydrogen bond donor(s) and 6 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-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid?
The CAS number of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid is 28020-71-5.
What is the molecular formula of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid?
The molecular formula of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid is C13H11N3O3S2.
What is the molecular weight of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid?
The molecular weight of 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid is 321.02 g/mol.
Where can I buy 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid?
You can request a quote for 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.