硫代辛磺酸-S-辛基酯
TL;DR: 硫代辛磺酸-S-辛基酯 (CAS 7651-62-9) is a chemical compound with molecular formula C16H34O2S2 and molecular weight 322.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代辛磺酸-S-辛基酯
1-octylsulfonylsulfanyloctane
Also Known As: 1-octylsulfonylsulfanyloctane, S-Octyl octanethiosulfonate, 1-Octanesulfonothioic acid, S-octyl ester, S-Octyl 1-octanesulfonothioate, S-octyl octane-1-sulfonothioate
| Molecular Formula | C16H34O2S2 |
|---|---|
| Molecular Weight | 322.20 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 322.2 |
| Heavy Atoms | 20 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 7651-62-9 |
|---|---|
| SMILES | CCCCCCCCSS(=O)(=O)CCCCCCCC |
| InChIKey | PGJQBDRKAOQYEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代辛磺酸-S-辛基酯 (CAS 7651-62-9), with molecular formula C16H34O2S2 and molecular weight 322.20 g/mol. IUPAC: 1-octylsulfonylsulfanyloctane.
Chemical Property Profile of 硫代辛磺酸-S-辛基酯
Property Insights of 硫代辛磺酸-S-辛基酯
The XLogP value of 6.9 indicates that 硫代辛磺酸-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 硫代辛磺酸-S-辛基酯. Following Lipinski's Rule of Five, 硫代辛磺酸-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 硫代辛磺酸-S-辛基酯?
The CAS number of 硫代辛磺酸-S-辛基酯 is 7651-62-9.
What is the molecular formula of 硫代辛磺酸-S-辛基酯?
The molecular formula of 硫代辛磺酸-S-辛基酯 is C16H34O2S2.
What is the molecular weight of 硫代辛磺酸-S-辛基酯?
The molecular weight of 硫代辛磺酸-S-辛基酯 is 322.20 g/mol.
Where can I buy 硫代辛磺酸-S-辛基酯?
You can request a quote for 硫代辛磺酸-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 硫代辛磺酸-S-辛基酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代辛磺酸-S-辛基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.