硫代对甲苯磺酸 S-辛基酯
TL;DR: 硫代对甲苯磺酸 S-辛基酯 (CAS 7559-53-7) is a chemical compound with molecular formula C15H24O2S2 and molecular weight 300.12 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-辛基酯
1-methyl-4-octylsulfanylsulfonylbenzene
Also Known As: S-Octyl p-toluenethiosulfonate, s-octyl 4-methylbenzenesulfonothioate, 1-methyl-4-octylsulfanylsulfonylbenzene, p-Toluenesulfonic acid, S-octyl ester, p-Toluenesulfonic acid, thio-, S-octyl ester
| Molecular Formula | C15H24O2S2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 300.12177 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 7559-53-7 |
|---|---|
| SMILES | CCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | UMHCNSKVYCPQDB-UHFFFAOYSA-N |
Product Overview
硫代对甲苯磺酸 S-辛基酯 (CAS 7559-53-7), with molecular formula C15H24O2S2 and molecular weight 300.12 g/mol. IUPAC: 1-methyl-4-octylsulfanylsulfonylbenzene.
Chemical Property Profile of 硫代对甲苯磺酸 S-辛基酯
Property Insights of 硫代对甲苯磺酸 S-辛基酯
The XLogP value of 5.4 indicates that 硫代对甲苯磺酸 S-辛基酯 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-辛基酯. Following Lipinski's Rule of Five, 硫代对甲苯磺酸 S-辛基酯 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 硫代对甲苯磺酸 S-辛基酯?
The CAS number of 硫代对甲苯磺酸 S-辛基酯 is 7559-53-7.
What is the molecular formula of 硫代对甲苯磺酸 S-辛基酯?
The molecular formula of 硫代对甲苯磺酸 S-辛基酯 is C15H24O2S2.
What is the molecular weight of 硫代对甲苯磺酸 S-辛基酯?
The molecular weight of 硫代对甲苯磺酸 S-辛基酯 is 300.12 g/mol.
Where can I buy 硫代对甲苯磺酸 S-辛基酯?
You can request a quote for 硫代对甲苯磺酸 S-辛基酯 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-辛基酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代对甲苯磺酸 S-辛基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.