1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
TL;DR: 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride (CAS 470694-93-0) is a chemical compound with molecular formula C13H13ClN2S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-thiophen-2-ylbenzimidazol-3-ium chloride
Also Known As: 1,3-dimethyl-2-thiophen-2-yl-benzoimidazole Chloride, 1,3-dimethyl-2-thiophen-2-ylbenzimidazol-3-ium chloride, 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride, 1,3-dimethyl-2-(thiophen-2-yl)-1H-benzo[d]imidazol-3-ium chloride
| Molecular Formula | C13H13ClN2S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | -0.2647 |
| Topological Polar Surface Area | 8.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.0488 |
| Heavy Atoms | 17 |
| Complexity | 601.7906 |
Chemical Identifiers
| CAS Number | 470694-93-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2[N+](=C1C3=CC=CS3)C.[Cl-] |
Product Overview
1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride (CAS 470694-93-0), with molecular formula C13H13ClN2S and molecular weight 264.05 g/mol. IUPAC: 1,3-dimethyl-2-thiophen-2-ylbenzimidazol-3-ium chloride.
Chemical Property Profile of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
Property Insights of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
The XLogP value of -0.2647 indicates that 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.81 Ų, 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride has 0 hydrogen bond donor(s) and 1 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 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride?
The CAS number of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride is 470694-93-0.
What is the molecular formula of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride?
The molecular formula of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride is C13H13ClN2S.
What is the molecular weight of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride?
The molecular weight of 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride is 264.05 g/mol.
Where can I buy 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride?
You can request a quote for 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.