4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium
TL;DR: 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium (CAS 30853-33-9) is a chemical compound with molecular formula C10H7N3OS and molecular weight 217.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium
Also Known As: 1H-Benzimidazole, N-oxide, 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium, 1H-BENZIMIDAZOLE,2-(3-OXIDO-4-THIAZOLYL)-, 2-(3-Oxo-1,3lambda~5~-thiazol-4-yl)-1H-1,3-benzimidazole
| Molecular Formula | C10H7N3OS |
|---|---|
| Molecular Weight | 217.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.03099 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 30853-33-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CSC=[N+]3[O-] |
| InChIKey | DPIBFHDJMWGKTB-UHFFFAOYSA-N |
Product Overview
4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium (CAS 30853-33-9), with molecular formula C10H7N3OS and molecular weight 217.03 g/mol. IUPAC: 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium.
Chemical Property Profile of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium
Property Insights of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium. Following Lipinski's Rule of Five, 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium 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
Frequently Asked Questions
What is the CAS number of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium?
The CAS number of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium is 30853-33-9.
What is the molecular formula of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium?
The molecular formula of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium is C10H7N3OS.
What is the molecular weight of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium?
The molecular weight of 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium is 217.03 g/mol.
Where can I buy 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium?
You can request a quote for 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.