1-Heptadecanethiol
TL;DR: 1-Heptadecanethiol (CAS 5333-56-2) is a chemical compound with molecular formula C17H36S and molecular weight 272.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadecane-1-thiol
Also Known As: 1-Heptadecanethiol, Heptadecyl mercaptan, heptadecane-1-thiol, Heptadecylmercaptan, n-heptadecanethiol
| Molecular Formula | C17H36S |
|---|---|
| Molecular Weight | 272.25 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 272.25378 |
| Heavy Atoms | 18 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 5333-56-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCS |
| InChIKey | FXOGYMXDUYOYKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptadecanethiol (CAS 5333-56-2), with molecular formula C17H36S and molecular weight 272.25 g/mol. IUPAC: heptadecane-1-thiol.
Chemical Property Profile of 1-Heptadecanethiol
Property Insights of 1-Heptadecanethiol
The XLogP value of 8.8 indicates that 1-Heptadecanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Heptadecanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptadecanethiol has 1 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 1-Heptadecanethiol?
The CAS number of 1-Heptadecanethiol is 5333-56-2.
What is the molecular formula of 1-Heptadecanethiol?
The molecular formula of 1-Heptadecanethiol is C17H36S.
What is the molecular weight of 1-Heptadecanethiol?
The molecular weight of 1-Heptadecanethiol is 272.25 g/mol.
Where can I buy 1-Heptadecanethiol?
You can request a quote for 1-Heptadecanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptadecanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptadecanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.