8-(Methylsulfanyl)octanenitrile
TL;DR: 8-(Methylsulfanyl)octanenitrile (CAS 64656-08-2) is a chemical compound with molecular formula C9H17NS and molecular weight 171.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylsulfanyloctanenitrile
Also Known As: 8-Methylsulfanyloctanenitrile, 8-(Methylthio)octanenitrile, 8-(methylsulfanyl)octanenitrile, Octanenitrile, 8-(methylthio)-, 8-Methylthiooctanenitrile
| Molecular Formula | C9H17NS |
|---|---|
| Molecular Weight | 171.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 171.10817 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 64656-08-2 |
|---|---|
| SMILES | CSCCCCCCCC#N |
| InChIKey | BWZCPICNIWWLFX-UHFFFAOYSA-N |
Product Overview
8-(Methylsulfanyl)octanenitrile (CAS 64656-08-2), with molecular formula C9H17NS and molecular weight 171.11 g/mol. IUPAC: 8-methylsulfanyloctanenitrile.
Chemical Property Profile of 8-(Methylsulfanyl)octanenitrile
Property Insights of 8-(Methylsulfanyl)octanenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Methylsulfanyl)octanenitrile. With a topological polar surface area (TPSA) of 49.1 Ų, 8-(Methylsulfanyl)octanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Methylsulfanyl)octanenitrile has 0 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 8-(Methylsulfanyl)octanenitrile?
The CAS number of 8-(Methylsulfanyl)octanenitrile is 64656-08-2.
What is the molecular formula of 8-(Methylsulfanyl)octanenitrile?
The molecular formula of 8-(Methylsulfanyl)octanenitrile is C9H17NS.
What is the molecular weight of 8-(Methylsulfanyl)octanenitrile?
The molecular weight of 8-(Methylsulfanyl)octanenitrile is 171.11 g/mol.
Where can I buy 8-(Methylsulfanyl)octanenitrile?
You can request a quote for 8-(Methylsulfanyl)octanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Methylsulfanyl)octanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(Methylsulfanyl)octanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.