3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone
TL;DR: 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone (CAS 5439-24-7) is a chemical compound with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate
Also Known As: TTMS, 3-(2- -4-methylsydnone, 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone, 4-methyl-3-{2-[(2,4,6-trimethylphenyl)sulfanyl]ethyl}-1,2,3-oxadiazol-3-ium-5-olate, 3-[2-[(2,4,6-Trimethylphenyl)thio]ethyl]-4-methylsydnone
| Molecular Formula | C14H18N2O2S |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1089 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 5439-24-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)SCC[N+]2=NOC(=C2C)[O-])C |
| InChIKey | SASVRDKVMXNKBH-UHFFFAOYSA-N |
Product Overview
3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone (CAS 5439-24-7), with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol. IUPAC: 4-methyl-3-[2-(2,4,6-trimethylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone
Property Insights of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone
The XLogP value of 4.8 indicates that 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone 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-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone. Following Lipinski's Rule of Five, 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone 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-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone?
The CAS number of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone is 5439-24-7.
What is the molecular formula of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone?
The molecular formula of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone is C14H18N2O2S.
What is the molecular weight of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone?
The molecular weight of 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone is 278.11 g/mol.
Where can I buy 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone?
You can request a quote for 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(2,4,6-Trimethylphenyl)thioethyl)-4-methylsydnone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.