S-Octyl benzenecarbothioate
TL;DR: S-Octyl benzenecarbothioate (CAS 10489-23-3) is a chemical compound with molecular formula C15H22OS and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-octyl benzenecarbothioate
Also Known As: Tioctilate, Tioctilato, Tioctilatum, S-octyl benzenecarbothioate, Tioctilate [INN]
| Molecular Formula | C15H22OS |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.13913 |
| Heavy Atoms | 17 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 10489-23-3 |
|---|---|
| SMILES | CCCCCCCCSC(=O)C1=CC=CC=C1 |
| InChIKey | RBWOKKSOBWYZQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Octyl benzenecarbothioate (CAS 10489-23-3), with molecular formula C15H22OS and molecular weight 250.14 g/mol. IUPAC: S-octyl benzenecarbothioate.
Chemical Property Profile of S-Octyl benzenecarbothioate
Property Insights of S-Octyl benzenecarbothioate
The XLogP value of 5.7 indicates that S-Octyl benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Octyl benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Octyl benzenecarbothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Octyl benzenecarbothioate?
The CAS number of S-Octyl benzenecarbothioate is 10489-23-3.
What is the molecular formula of S-Octyl benzenecarbothioate?
The molecular formula of S-Octyl benzenecarbothioate is C15H22OS.
What is the molecular weight of S-Octyl benzenecarbothioate?
The molecular weight of S-Octyl benzenecarbothioate is 250.14 g/mol.
Where can I buy S-Octyl benzenecarbothioate?
You can request a quote for S-Octyl benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Octyl benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Octyl benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.