4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
TL;DR: 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium (CAS 37151-22-7) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
Also Known As: 4,5-dimethyl-2-thiophen-2-yl-oxazole 3-oxide, 4,5-dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazole, 4,5-dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 2.25834 |
| Topological Polar Surface Area | 40.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 417.00662 |
Chemical Identifiers
| CAS Number | 37151-22-7 |
|---|---|
| SMILES | CC1=C(OC(=[N+]1[O-])C2=CC=CS2)C |
Product Overview
4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium (CAS 37151-22-7), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 4,5-dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium.
Chemical Property Profile of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
Property Insights of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
The XLogP value of 2.25834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium. With a topological polar surface area (TPSA) of 40.08 Ų, 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium has 0 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 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium?
The CAS number of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium is 37151-22-7.
What is the molecular formula of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium?
The molecular formula of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium is C9H9NO2S.
What is the molecular weight of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium?
The molecular weight of 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium is 195.04 g/mol.
Where can I buy 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium?
You can request a quote for 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.