3-Mercaptononanal
TL;DR: 3-Mercaptononanal (CAS 61406-96-0) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylnonanal
Also Known As: 3-Mercaptononanal, 3-sulfanylnonanal, Nonanal,3-mercapto, Nonanal, 3-mercapto-, J1.843.513F
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 61406-96-0 |
|---|---|
| SMILES | CCCCCCC(CC=O)S |
| InChIKey | KCOFYZNOXRYCOE-UHFFFAOYSA-N |
Product Overview
3-Mercaptononanal (CAS 61406-96-0), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: 3-sulfanylnonanal.
Chemical Property Profile of 3-Mercaptononanal
Property Insights of 3-Mercaptononanal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercaptononanal. With a topological polar surface area (TPSA) of 18.1 Ų, 3-Mercaptononanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptononanal has 1 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-Mercaptononanal?
The CAS number of 3-Mercaptononanal is 61406-96-0.
What is the molecular formula of 3-Mercaptononanal?
The molecular formula of 3-Mercaptononanal is C9H18OS.
What is the molecular weight of 3-Mercaptononanal?
The molecular weight of 3-Mercaptononanal is 174.11 g/mol.
Where can I buy 3-Mercaptononanal?
You can request a quote for 3-Mercaptononanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptononanal?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptononanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.