6-Sulfanyloctanoic acid
TL;DR: 6-Sulfanyloctanoic acid (CAS 74903-54-1) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanyloctanoic acid
Also Known As: 6-sulfanyloctanoic acid, 6-thio-octanoate, 6-thiooctanoic acid, Octanoic acid, 6-mercapto-, RefChem:309398
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 74903-54-1 |
|---|---|
| SMILES | CCC(CCCCC(=O)O)S |
| InChIKey | LABZAONVGARYLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Sulfanyloctanoic acid (CAS 74903-54-1), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 6-sulfanyloctanoic acid.
Chemical Property Profile of 6-Sulfanyloctanoic acid
Property Insights of 6-Sulfanyloctanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Sulfanyloctanoic acid. With a topological polar surface area (TPSA) of 38.3 Ų, 6-Sulfanyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Sulfanyloctanoic acid has 2 hydrogen bond donor(s) and 3 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 6-Sulfanyloctanoic acid?
The CAS number of 6-Sulfanyloctanoic acid is 74903-54-1.
What is the molecular formula of 6-Sulfanyloctanoic acid?
The molecular formula of 6-Sulfanyloctanoic acid is C8H16O2S.
What is the molecular weight of 6-Sulfanyloctanoic acid?
The molecular weight of 6-Sulfanyloctanoic acid is 176.09 g/mol.
Where can I buy 6-Sulfanyloctanoic acid?
You can request a quote for 6-Sulfanyloctanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Sulfanyloctanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Sulfanyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.