3-Mercaptooctanol
TL;DR: 3-Mercaptooctanol (CAS 548741-01-1) is a chemical compound with molecular formula C8H18OS and molecular weight 162.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanyloctan-1-ol
Also Known As: 3-mercaptooctanol, 3-sulfanyloctan-1-ol, 1-Octanol, 3-mercapto-, 3-Mercaptooctane-1-ol, 1-Octanol,3-mercapto-
| Molecular Formula | C8H18OS |
|---|---|
| Molecular Weight | 162.11 g/mol |
| LogP | 2.2475 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.10783 |
| Heavy Atoms | 10 |
| Complexity | 66.27793 |
Chemical Identifiers
| CAS Number | 548741-01-1 |
|---|---|
| SMILES | CCCCCC(CCO)S |
Product Overview
3-Mercaptooctanol (CAS 548741-01-1), with molecular formula C8H18OS and molecular weight 162.11 g/mol. IUPAC: 3-sulfanyloctan-1-ol.
Chemical Property Profile of 3-Mercaptooctanol
Property Insights of 3-Mercaptooctanol
The XLogP value of 2.2475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercaptooctanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Mercaptooctanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptooctanol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Mercaptooctanol?
The CAS number of 3-Mercaptooctanol is 548741-01-1.
What is the molecular formula of 3-Mercaptooctanol?
The molecular formula of 3-Mercaptooctanol is C8H18OS.
What is the molecular weight of 3-Mercaptooctanol?
The molecular weight of 3-Mercaptooctanol is 162.11 g/mol.
Where can I buy 3-Mercaptooctanol?
You can request a quote for 3-Mercaptooctanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptooctanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptooctanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.