硫代对甲苯磺酸 S-己基酯
TL;DR: 硫代对甲苯磺酸 S-己基酯 (CAS 28519-32-6) is a chemical compound with molecular formula C13H20O2S2 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代对甲苯磺酸 S-己基酯
1-hexylsulfanylsulfonyl-4-methylbenzene
Also Known As: S-Hexyl p-toluenethiosulfonate, 1-hexylsulfanylsulfonyl-4-methylbenzene, p-Toluenesulfonic acid, thio-, S-hexyl ester, s-hexyl 4-methylbenzenesulfonothioate, p-Toluenesulfonic acid, S-hexyl ester
| Molecular Formula | C13H20O2S2 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.09048 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 28519-32-6 |
|---|---|
| SMILES | CCCCCCSS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | YCOCBHPNOONOQR-UHFFFAOYSA-N |
Product Overview
硫代对甲苯磺酸 S-己基酯 (CAS 28519-32-6), with molecular formula C13H20O2S2 and molecular weight 272.09 g/mol. IUPAC: 1-hexylsulfanylsulfonyl-4-methylbenzene.
Chemical Property Profile of 硫代对甲苯磺酸 S-己基酯
Property Insights of 硫代对甲苯磺酸 S-己基酯
The XLogP value of 4.3 indicates that 硫代对甲苯磺酸 S-己基酯 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 硫代对甲苯磺酸 S-己基酯. Following Lipinski's Rule of Five, 硫代对甲苯磺酸 S-己基酯 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 硫代对甲苯磺酸 S-己基酯?
The CAS number of 硫代对甲苯磺酸 S-己基酯 is 28519-32-6.
What is the molecular formula of 硫代对甲苯磺酸 S-己基酯?
The molecular formula of 硫代对甲苯磺酸 S-己基酯 is C13H20O2S2.
What is the molecular weight of 硫代对甲苯磺酸 S-己基酯?
The molecular weight of 硫代对甲苯磺酸 S-己基酯 is 272.09 g/mol.
Where can I buy 硫代对甲苯磺酸 S-己基酯?
You can request a quote for 硫代对甲苯磺酸 S-己基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代对甲苯磺酸 S-己基酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代对甲苯磺酸 S-己基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.