6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate
TL;DR: 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate (CAS 301163-44-0) is a chemical compound with molecular formula C9H10N2O4S and molecular weight 242.03613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate
Also Known As: 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate, 5-ethoxy-1H-benzimidazole-2-sulfonic acid
Technical Specifications
| Molecular Formula | C9H10N2O4S |
| Molecular Weight | 242.03613 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.03613 Da |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
| SMILES | CCOC1=CC2=C(C=C1)[NH+]=C(N2)S(=O)(=O)[O-] |
| InChIKey | ZJBCFDFJDUTQLB-UHFFFAOYSA-N |
Chemical Property Profile of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate
Property Insights of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate. Following Lipinski's Rule of Five, 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate?
The CAS number of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate is 301163-44-0.
What is the molecular formula of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate?
The molecular formula of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate is C9H10N2O4S.
What is the molecular weight of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate?
The molecular weight of 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate is 242.03613 g/mol.
Where can I buy 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate?
You can request a quote for 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate?
Yes, CoreyChem provides custom synthesis services for 6-ethoxy-1H-benzimidazol-3-ium-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.