6-Thiatetradecane
TL;DR: 6-Thiatetradecane (CAS 62103-68-8) is a chemical compound with molecular formula C13H28S and molecular weight 216.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentylsulfanyloctane
Also Known As: 6-Thiatetradecane, Octylpentyl sulfide, 1-pentylsulfanyloctane, octyl pentyl sulfide, Octane, 1-(pentylthio)-
| Molecular Formula | C13H28S |
|---|---|
| Molecular Weight | 216.19 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 216.19118 |
| Heavy Atoms | 14 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 62103-68-8 |
|---|---|
| SMILES | CCCCCCCCSCCCCC |
| InChIKey | AYFCJZQIPPBHOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Thiatetradecane (CAS 62103-68-8), with molecular formula C13H28S and molecular weight 216.19 g/mol. IUPAC: 1-pentylsulfanyloctane.
Chemical Property Profile of 6-Thiatetradecane
Property Insights of 6-Thiatetradecane
The XLogP value of 6.1 indicates that 6-Thiatetradecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 6-Thiatetradecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Thiatetradecane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Thiatetradecane?
The CAS number of 6-Thiatetradecane is 62103-68-8.
What is the molecular formula of 6-Thiatetradecane?
The molecular formula of 6-Thiatetradecane is C13H28S.
What is the molecular weight of 6-Thiatetradecane?
The molecular weight of 6-Thiatetradecane is 216.19 g/mol.
Where can I buy 6-Thiatetradecane?
You can request a quote for 6-Thiatetradecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thiatetradecane?
Yes, KEHONG BIO provides custom synthesis services for 6-Thiatetradecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.