硫代对甲苯磺酸 S-十六烷基酯
TL;DR: 硫代对甲苯磺酸 S-十六烷基酯 (CAS 7559-54-8) is a chemical compound with molecular formula C23H40O2S2 and molecular weight 412.25 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-十六烷基酯
1-hexadecylsulfanylsulfonyl-4-methylbenzene
Also Known As: S-Hexadecyl p-toluenethiosulfonate, 1-hexadecylsulfanylsulfonyl-4-methylbenzene, p-Toluenesulfonic acid, thio-, S-hexadecyl ester, S-Hexadecyl 4-methylbenzenesulfonothioate, p-Toluenesulfonic acid, S-hexadecyl ester
| Molecular Formula | C23H40O2S2 |
|---|---|
| Molecular Weight | 412.25 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 412.24698 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 7559-54-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | ZKVMVNHORMSSSC-UHFFFAOYSA-N |
Product Overview
硫代对甲苯磺酸 S-十六烷基酯 (CAS 7559-54-8), with molecular formula C23H40O2S2 and molecular weight 412.25 g/mol. IUPAC: 1-hexadecylsulfanylsulfonyl-4-methylbenzene.
Chemical Property Profile of 硫代对甲苯磺酸 S-十六烷基酯
Property Insights of 硫代对甲苯磺酸 S-十六烷基酯
The XLogP value of 9.7 indicates that 硫代对甲苯磺酸 S-十六烷基酯 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-十六烷基酯. Following Lipinski's Rule of Five, 硫代对甲苯磺酸 S-十六烷基酯 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-十六烷基酯?
The CAS number of 硫代对甲苯磺酸 S-十六烷基酯 is 7559-54-8.
What is the molecular formula of 硫代对甲苯磺酸 S-十六烷基酯?
The molecular formula of 硫代对甲苯磺酸 S-十六烷基酯 is C23H40O2S2.
What is the molecular weight of 硫代对甲苯磺酸 S-十六烷基酯?
The molecular weight of 硫代对甲苯磺酸 S-十六烷基酯 is 412.25 g/mol.
Where can I buy 硫代对甲苯磺酸 S-十六烷基酯?
You can request a quote for 硫代对甲苯磺酸 S-十六烷基酯 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-十六烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代对甲苯磺酸 S-十六烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.