3-(2-(4-Methylphenyl)thioethyl)-5-sydnone
TL;DR: 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone (CAS 4830-05-1) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-methylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate
Also Known As: Sinpeinine A, 3-Mptes, 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone, 3-(2-(4-Methylphenylthio)ethyl)sydnone, Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 4830-05-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC[N+]2=NOC(=C2)[O-] |
| InChIKey | ABEBSOCCFCCWFY-UHFFFAOYSA-N |
Product Overview
3-(2-(4-Methylphenyl)thioethyl)-5-sydnone (CAS 4830-05-1), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 3-[2-(4-methylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone
Property Insights of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone
The XLogP value of 3.7 indicates that 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone. Following Lipinski's Rule of Five, 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone has 0 hydrogen bond donor(s) and 4 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 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone?
The CAS number of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone is 4830-05-1.
What is the molecular formula of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone?
The molecular formula of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone is C11H12N2O2S.
What is the molecular weight of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone?
The molecular weight of 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone is 236.06 g/mol.
Where can I buy 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone?
You can request a quote for 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.