p-Toluenesulfonic acid, thio-, S-tetradecyl ester
TL;DR: p-Toluenesulfonic acid, thio-, S-tetradecyl ester (CAS 28519-35-9) is a chemical compound with molecular formula C21H36O2S2 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-tetradecan-2-ylsulfanylsulfonylbenzene
Also Known As: S-Tetradecyl p-toluenethiosulfonate, p-Toluenesulfonic acid, thio-, S-tetradecyl ester, 2-(4-METHYLPHENYL)SULFONYLSULFANYLTETRADECANE, 1-methyl-4-tetradecan-2-ylsulfanylsulfonylbenzene, S-Tetradecan-2-yl 4-methylbenzene-1-sulfonothioate
| Molecular Formula | C21H36O2S2 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 384.21567 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 28519-35-9 |
|---|---|
| SMILES | CCCCCCCCCCCCC(C)SS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | XYDSEIIGBMLUGX-UHFFFAOYSA-N |
Product Overview
p-Toluenesulfonic acid, thio-, S-tetradecyl ester (CAS 28519-35-9), with molecular formula C21H36O2S2 and molecular weight 384.22 g/mol. IUPAC: 1-methyl-4-tetradecan-2-ylsulfanylsulfonylbenzene.
Chemical Property Profile of p-Toluenesulfonic acid, thio-, S-tetradecyl ester
Property Insights of p-Toluenesulfonic acid, thio-, S-tetradecyl ester
The XLogP value of 8.5 indicates that p-Toluenesulfonic acid, thio-, S-tetradecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulfonic acid, thio-, S-tetradecyl ester. Following Lipinski's Rule of Five, p-Toluenesulfonic acid, thio-, S-tetradecyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Toluenesulfonic acid, thio-, S-tetradecyl ester?
The CAS number of p-Toluenesulfonic acid, thio-, S-tetradecyl ester is 28519-35-9.
What is the molecular formula of p-Toluenesulfonic acid, thio-, S-tetradecyl ester?
The molecular formula of p-Toluenesulfonic acid, thio-, S-tetradecyl ester is C21H36O2S2.
What is the molecular weight of p-Toluenesulfonic acid, thio-, S-tetradecyl ester?
The molecular weight of p-Toluenesulfonic acid, thio-, S-tetradecyl ester is 384.22 g/mol.
Where can I buy p-Toluenesulfonic acid, thio-, S-tetradecyl ester?
You can request a quote for p-Toluenesulfonic acid, thio-, S-tetradecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonic acid, thio-, S-tetradecyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonic acid, thio-, S-tetradecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.